N-(3-chlorophenyl)-3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone

C77H88Cl2FN17O12 — CID 161192157

IUPACN-(3-chlorophenyl)-3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone
SMILESCC(C)(O)c1n[nH]c2c1CN(C(=O)COc1ccccc1)CC2.CC(C)(O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.O=C(COc1ccccc1)N1CCc2[nH]nc(CF)c2C1.O=C(COc1ccccc1)N1CCc2[nH]nc(CO)c2C1.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(CO)c2C1
InChIInChI=1S/C17H21N3O3.C16H19ClN4O2.C15H16FN3O2.C15H17N3O3.C14H15ClN4O2/c1-17(2,22)16-13-10-20(9-8-14(13)18-19-16)15(21)11-23-12-6-4-3-5-7-12;1-16(2,23)14-12-9-21(7-6-13(12)19-20-14)15(22)18-11-5-3-4-10(17)8-11;16-8-14-12-9-19(7-6-13(12)17-18-14)15(20)10-21-11-4-2-1-3-5-11;19-9-14-12-8-18(7-6-13(12)16-17-14)15(20)10-21-11-4-2-1-3-5-11;15-9-2-1-3-10(6-9)16-14(21)19-5-4-12-11(7-19)13(8-20)18-17-12/h3-7,22H,8-11H2,1-2H3,(H,18,19);3-5,8,23H,6-7,9H2,1-2H3,(H,18,22)(H,19,20);1-5H,6-10H2,(H,17,18);1-5,19H,6-10H2,(H,16,17);1-3,6,20H,4-5,7-8H2,(H,16,21)(H,17,18)
InChIKeyUTWBYFXPQLYPMO-UHFFFAOYSA-N
MW1533.56 g/mol
LogP9.34
Rot. Bonds16

About N-(3-chlorophenyl)-3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone

N-(3-chlorophenyl)-3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone (PubChem CID 161192157) has the molecular formula C77H88Cl2FN17O12 and a molecular weight of 1533.56 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone
PubChem CID161192157
Molecular FormulaC77H88Cl2FN17O12
Molecular Weight1533.56 g/mol
Exact Mass1531.62
IUPAC NameN-(3-chlorophenyl)-3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone
SMILESCC(C)(O)c1n[nH]c2c1CN(C(=O)COc1ccccc1)CC2.CC(C)(O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.O=C(COc1ccccc1)N1CCc2[nH]nc(CF)c2C1.O=C(COc1ccccc1)N1CCc2[nH]nc(CO)c2C1.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(CO)c2C1
InChIInChI=1S/C17H21N3O3.C16H19ClN4O2.C15H16FN3O2.C15H17N3O3.C14H15ClN4O2/c1-17(2,22)16-13-10-20(9-8-14(13)18-19-16)15(21)11-23-12-6-4-3-5-7-12;1-16(2,23)14-12-9-21(7-6-13(12)19-20-14)15(22)18-11-5-3-4-10(17)8-11;16-8-14-12-9-19(7-6-13(12)17-18-14)15(20)10-21-11-4-2-1-3-5-11;19-9-14-12-8-18(7-6-13(12)16-17-14)15(20)10-21-11-4-2-1-3-5-11;15-9-2-1-3-10(6-9)16-14(21)19-5-4-12-11(7-19)13(8-20)18-17-12/h3-7,22H,8-11H2,1-2H3,(H,18,19);3-5,8,23H,6-7,9H2,1-2H3,(H,18,22)(H,19,20);1-5H,6-10H2,(H,17,18);1-5,19H,6-10H2,(H,16,17);1-3,6,20H,4-5,7-8H2,(H,16,21)(H,17,18)
InChIKeyUTWBYFXPQLYPMO-UHFFFAOYSA-N
XLogP9.34
TPSA377.62 Ų
H-Bond Donors11
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001533.56
LogP ≤ 59.34
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1017

Analyze N-(3-chlorophenyl)-3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone?
The IUPAC name of N-(3-chlorophenyl)-3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone (CID 161192157) is N-(3-chlorophenyl)-3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone.
What is the SMILES notation for N-(3-chlorophenyl)-3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone?
The canonical SMILES for N-(3-chlorophenyl)-3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone is CC(C)(O)c1n[nH]c2c1CN(C(=O)COc1ccccc1)CC2.CC(C)(O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.O=C(COc1ccccc1)N1CCc2[nH]nc(CF)c2C1.O=C(COc1ccccc1)N1CCc2[nH]nc(CO)c2C1.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(CO)c2C1.
What is the InChIKey of N-(3-chlorophenyl)-3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone?
The InChIKey is UTWBYFXPQLYPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3.C16H19ClN4O2.C15H16FN3O2.C15H17N3O3.C14H15ClN4O2/c1-17(2,22)16-13-10-20(9-8-14(13)18-19-16)15(21)11-23-12-6-4-3-5-7-12;1-16(2,23)14-12-9-21(7-6-13(12)19-20-14)15(22)18-11-5-3-4-10(17)8-11;16-8-14-12-9-19(7-6-13(12)17-18-14)15(20)10-21-11-4-2-1-3-5-11;19-9-14-12-8-18(7-6-13(12)16-17-14)15(20)10-21-11-4-2-1-3-5-11;15-9-2-1-3-10(6-9)16-14(21)19-5-4-12-11(7-19)13(8-20)18-17-12/h3-7,22H,8-11H2,1-2H3,(H,18,19);3-5,8,23H,6-7,9H2,1-2H3,(H,18,22)(H,19,20);1-5H,6-10H2,(H,17,18);1-5,19H,6-10H2,(H,16,17);1-3,6,20H,4-5,7-8H2,(H,16,21)(H,17,18).
What are the key properties of N-(3-chlorophenyl)-3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone?
N-(3-chlorophenyl)-3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone has a molecular weight of 1533.56 g/mol, XLogP of 9.34, 16 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(hydroxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(2-hydroxypropan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone is sourced from PubChem (CID 161192157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).