N-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

C25H26ClN11O — CID 158788522

IUPACN-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESO=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-n3cccn3)c2C1.c1cnn(-c2n[nH]c3c2CNCC3)c1
InChIInChI=1S/C16H15ClN6O.C9H11N5/c17-11-3-1-4-12(9-11)19-16(24)22-8-5-14-13(10-22)15(21-20-14)23-7-2-6-18-23;1-3-11-14(5-1)9-7-6-10-4-2-8(7)12-13-9/h1-4,6-7,9H,5,8,10H2,(H,19,24)(H,20,21);1,3,5,10H,2,4,6H2,(H,12,13)
InChIKeyIRZDMNDQUOJELO-UHFFFAOYSA-N
MW532.01 g/mol
LogP3.08
Rot. Bonds3

About N-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

N-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 158788522) has the molecular formula C25H26ClN11O and a molecular weight of 532.01 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
PubChem CID158788522
Molecular FormulaC25H26ClN11O
Molecular Weight532.01 g/mol
Exact Mass531.20
IUPAC NameN-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESO=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-n3cccn3)c2C1.c1cnn(-c2n[nH]c3c2CNCC3)c1
InChIInChI=1S/C16H15ClN6O.C9H11N5/c17-11-3-1-4-12(9-11)19-16(24)22-8-5-14-13(10-22)15(21-20-14)23-7-2-6-18-23;1-3-11-14(5-1)9-7-6-10-4-2-8(7)12-13-9/h1-4,6-7,9H,5,8,10H2,(H,19,24)(H,20,21);1,3,5,10H,2,4,6H2,(H,12,13)
InChIKeyIRZDMNDQUOJELO-UHFFFAOYSA-N
XLogP3.08
TPSA137.37 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.01
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of N-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (CID 158788522) is N-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for N-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for N-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-n3cccn3)c2C1.c1cnn(-c2n[nH]c3c2CNCC3)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is IRZDMNDQUOJELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O.C9H11N5/c17-11-3-1-4-12(9-11)19-16(24)22-8-5-14-13(10-22)15(21-20-14)23-7-2-6-18-23;1-3-11-14(5-1)9-7-6-10-4-2-8(7)12-13-9/h1-4,6-7,9H,5,8,10H2,(H,19,24)(H,20,21);1,3,5,10H,2,4,6H2,(H,12,13).
What are the key properties of N-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
N-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 532.01 g/mol, XLogP of 3.08, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 158788522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).