1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]-3-methylpyrrolidine-3-carboxamide

C16H17ClN4O2 — CID 119037107

IUPAC1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C1
InChIInChI=1S/C16H17ClN4O2/c1-16(15(18)23)6-7-21(9-16)14(22)13-8-12(19-20-13)10-2-4-11(17)5-3-10/h2-5,8H,6-7,9H2,1H3,(H2,18,23)(H,19,20)
InChIKeyHOZRRFYBJMJQRS-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.07
Rot. Bonds3

About 1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]-3-methylpyrrolidine-3-carboxamide

1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]-3-methylpyrrolidine-3-carboxamide (PubChem CID 119037107) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]-3-methylpyrrolidine-3-carboxamide
PubChem CID119037107
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C1
InChIInChI=1S/C16H17ClN4O2/c1-16(15(18)23)6-7-21(9-16)14(22)13-8-12(19-20-13)10-2-4-11(17)5-3-10/h2-5,8H,6-7,9H2,1H3,(H2,18,23)(H,19,20)
InChIKeyHOZRRFYBJMJQRS-UHFFFAOYSA-N
XLogP2.07
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(4-methoxypiperidin-1-yl)methanone
CID 56810856
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(1,4-diazepan-1-yl)methanone
CID 119414620
3-fluoro-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 119259143
1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylic acid
CID 154743582
(3-aminopiperidin-1-yl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone;hydrochloride
CID 119377654
(4-chlorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 20910976
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 124611221
3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 114082421
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 70848800
(3-amino-5-hydroxypiperidin-1-yl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 167820660
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 20864943
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19515001

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]-3-methylpyrrolidine-3-carboxamide (CID 119037107) is 1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]-3-methylpyrrolidine-3-carboxamide is CC1(C(N)=O)CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]-3-methylpyrrolidine-3-carboxamide?
The InChIKey is HOZRRFYBJMJQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-16(15(18)23)6-7-21(9-16)14(22)13-8-12(19-20-13)10-2-4-11(17)5-3-10/h2-5,8H,6-7,9H2,1H3,(H2,18,23)(H,19,20).
What are the key properties of 1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]-3-methylpyrrolidine-3-carboxamide?
1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]-3-methylpyrrolidine-3-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 119037107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).