3-(3-chlorophenyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-carboxamide

C20H19ClN4O — CID 71937515

IUPAC3-(3-chlorophenyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-carboxamide
SMILESCC(c1ccccn1)N(C(=O)c1cc(-c2cccc(Cl)c2)n[nH]1)C1CC1
InChIInChI=1S/C20H19ClN4O/c1-13(17-7-2-3-10-22-17)25(16-8-9-16)20(26)19-12-18(23-24-19)14-5-4-6-15(21)11-14/h2-7,10-13,16H,8-9H2,1H3,(H,23,24)
InChIKeyHANUXOZYSOXKDV-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.49
Rot. Bonds5

About 3-(3-chlorophenyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-carboxamide

3-(3-chlorophenyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-carboxamide (PubChem CID 71937515) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-carboxamide
PubChem CID71937515
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name3-(3-chlorophenyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-carboxamide
SMILESCC(c1ccccn1)N(C(=O)c1cc(-c2cccc(Cl)c2)n[nH]1)C1CC1
InChIInChI=1S/C20H19ClN4O/c1-13(17-7-2-3-10-22-17)25(16-8-9-16)20(26)19-12-18(23-24-19)14-5-4-6-15(21)11-14/h2-7,10-13,16H,8-9H2,1H3,(H,23,24)
InChIKeyHANUXOZYSOXKDV-UHFFFAOYSA-N
XLogP4.49
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
CID 71937517
N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 96521620
N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(1-pyridin-2-ylethyl)benzamide
CID 71866938
N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]-4-(1,3-thiazol-4-yl)benzamide
CID 97222886
2-[cyclopropyl-[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid
CID 122067233
3-(4-chlorophenyl)-1-cyclopentyl-1-[(1S)-1-pyridin-2-ylethyl]urea
CID 159086975
N-cyclopropyl-N-[(1S)-1-pyridin-2-ylethyl]-4-(pyrrol-1-ylmethyl)benzamide
CID 95277339
3-(3-bromophenyl)-1-cyclopropyl-1-[(1R)-1-pyridin-2-ylethyl]urea
CID 95786667
3-(3-chlorophenyl)-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 46920141
N-cyclopropyl-N-(1-pyridin-2-ylethyl)-4-(tetrazol-1-yl)benzamide
CID 51093102
N-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
CID 118246944
N-cyclopropyl-3-[(3-methylphenyl)methoxy]-N-(1-pyridin-2-ylethyl)benzamide
CID 55921071

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-carboxamide (CID 71937515) is 3-(3-chlorophenyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-carboxamide is CC(c1ccccn1)N(C(=O)c1cc(-c2cccc(Cl)c2)n[nH]1)C1CC1.
What is the InChIKey of 3-(3-chlorophenyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is HANUXOZYSOXKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13(17-7-2-3-10-22-17)25(16-8-9-16)20(26)19-12-18(23-24-19)14-5-4-6-15(21)11-14/h2-7,10-13,16H,8-9H2,1H3,(H,23,24).
What are the key properties of 3-(3-chlorophenyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-carboxamide?
3-(3-chlorophenyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71937515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).