3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen

C108H146Cl3N21O10 — CID 158546079

IUPAC3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen
SMILESCC/C=C/c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.CC/C=C\c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.CCC=Cc1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)OC(C)(C)C)CC2.CCCCc1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.CCCCc1n[nH]c2c1CNCC2.CCCCc1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)OC(C)(C)C)CC2.CO.[H][H]
InChIInChI=1S/C23H33N3O3.C23H31N3O3.C17H21ClN4O.2C17H19ClN4O.C10H17N3.CH4O.H2/c2*1-6-7-8-20-19-16-25(22(27)29-23(2,3)4)14-13-21(19)26(24-20)15-17-9-11-18(28-5)12-10-17;3*1-2-3-7-15-14-11-22(9-8-16(14)21-20-15)17(23)19-13-6-4-5-12(18)10-13;1-2-3-4-9-8-7-11-6-5-10(8)13-12-9;1-2;/h9-12H,6-8,13-16H2,1-5H3;7-12H,6,13-16H2,1-5H3;4-6,10H,2-3,7-9,11H2,1H3,(H,19,23)(H,20,21);2*3-7,10H,2,8-9,11H2,1H3,(H,19,23)(H,20,21);11H,2-7H2,1H3,(H,12,13);2H,1H3;1H/b;;;7-3+;7-3-;;;
InChIKeyHPCYUUPORYCJJD-QXFMMWSCSA-N
MW2004.85 g/mol
LogP22.63
Rot. Bonds24

About 3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen

3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen (PubChem CID 158546079) has the molecular formula C108H146Cl3N21O10 and a molecular weight of 2004.85 g/mol. Its IUPAC name is 3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen.

Molecular Properties

Compound Name3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen
PubChem CID158546079
Molecular FormulaC108H146Cl3N21O10
Molecular Weight2004.85 g/mol
Exact Mass2002.06
IUPAC Name3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen
SMILESCC/C=C/c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.CC/C=C\c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.CCC=Cc1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)OC(C)(C)C)CC2.CCCCc1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.CCCCc1n[nH]c2c1CNCC2.CCCCc1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)OC(C)(C)C)CC2.CO.[H][H]
InChIInChI=1S/C23H33N3O3.C23H31N3O3.C17H21ClN4O.2C17H19ClN4O.C10H17N3.CH4O.H2/c2*1-6-7-8-20-19-16-25(22(27)29-23(2,3)4)14-13-21(19)26(24-20)15-17-9-11-18(28-5)12-10-17;3*1-2-3-7-15-14-11-22(9-8-16(14)21-20-15)17(23)19-13-6-4-5-12(18)10-13;1-2-3-4-9-8-7-11-6-5-10(8)13-12-9;1-2;/h9-12H,6-8,13-16H2,1-5H3;7-12H,6,13-16H2,1-5H3;4-6,10H,2-3,7-9,11H2,1H3,(H,19,23)(H,20,21);2*3-7,10H,2,8-9,11H2,1H3,(H,19,23)(H,20,21);11H,2-7H2,1H3,(H,12,13);2H,1H3;1H/b;;;7-3+;7-3-;;;
InChIKeyHPCYUUPORYCJJD-QXFMMWSCSA-N
XLogP22.63
TPSA357.18 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds24
Heavy Atoms142
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002004.85
LogP ≤ 522.63
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Analyze 3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen?
The IUPAC name of 3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen (CID 158546079) is 3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen.
What is the SMILES notation for 3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen?
The canonical SMILES for 3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen is CC/C=C/c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.CC/C=C\c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.CCC=Cc1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)OC(C)(C)C)CC2.CCCCc1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.CCCCc1n[nH]c2c1CNCC2.CCCCc1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)OC(C)(C)C)CC2.CO.[H][H].
What is the InChIKey of 3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen?
The InChIKey is HPCYUUPORYCJJD-QXFMMWSCSA-N. The full InChI is InChI=1S/C23H33N3O3.C23H31N3O3.C17H21ClN4O.2C17H19ClN4O.C10H17N3.CH4O.H2/c2*1-6-7-8-20-19-16-25(22(27)29-23(2,3)4)14-13-21(19)26(24-20)15-17-9-11-18(28-5)12-10-17;3*1-2-3-7-15-14-11-22(9-8-16(14)21-20-15)17(23)19-13-6-4-5-12(18)10-13;1-2-3-4-9-8-7-11-6-5-10(8)13-12-9;1-2;/h9-12H,6-8,13-16H2,1-5H3;7-12H,6,13-16H2,1-5H3;4-6,10H,2-3,7-9,11H2,1H3,(H,19,23)(H,20,21);2*3-7,10H,2,8-9,11H2,1H3,(H,19,23)(H,20,21);11H,2-7H2,1H3,(H,12,13);2H,1H3;1H/b;;;7-3+;7-3-;;;.
What are the key properties of 3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen?
3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen has a molecular weight of 2004.85 g/mol, XLogP of 22.63, 24 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;tert-butyl 3-but-1-enyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-butyl-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;molecular hydrogen is sourced from PubChem (CID 158546079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).