1-(2-chlorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazole-4-carboxamide

C19H18ClN5O — CID 49193462

IUPAC1-(2-chlorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)nc1)c1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C19H18ClN5O/c20-16-5-1-2-6-17(16)25-13-14(11-22-25)19(26)23-15-7-8-18(21-12-15)24-9-3-4-10-24/h1-2,5-8,11-13H,3-4,9-10H2,(H,23,26)
InChIKeyRGUKOLWGEDYIFZ-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.77
Rot. Bonds4

About 1-(2-chlorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazole-4-carboxamide

1-(2-chlorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazole-4-carboxamide (PubChem CID 49193462) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazole-4-carboxamide
PubChem CID49193462
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name1-(2-chlorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)nc1)c1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C19H18ClN5O/c20-16-5-1-2-6-17(16)25-13-14(11-22-25)19(26)23-15-7-8-18(21-12-15)24-9-3-4-10-24/h1-2,5-8,11-13H,3-4,9-10H2,(H,23,26)
InChIKeyRGUKOLWGEDYIFZ-UHFFFAOYSA-N
XLogP3.77
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 43704451
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyrazole-4-carboxamide
CID 49158796
4-(benzenesulfonamido)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 30217600
N-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119515290
1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide
CID 94828462
4-hydroxy-1-phenyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazole-3-carboxamide
CID 126777508
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
4-tert-butyl-N-[6-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]benzamide
CID 46053761
3-(methanesulfonamido)-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 24612207
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 30267246
4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 41303356

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazole-4-carboxamide (CID 49193462) is 1-(2-chlorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazole-4-carboxamide is O=C(Nc1ccc(N2CCCC2)nc1)c1cnn(-c2ccccc2Cl)c1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazole-4-carboxamide?
The InChIKey is RGUKOLWGEDYIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c20-16-5-1-2-6-17(16)25-13-14(11-22-25)19(26)23-15-7-8-18(21-12-15)24-9-3-4-10-24/h1-2,5-8,11-13H,3-4,9-10H2,(H,23,26).
What are the key properties of 1-(2-chlorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazole-4-carboxamide?
1-(2-chlorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazole-4-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazole-4-carboxamide is sourced from PubChem (CID 49193462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).