1-(4-chlorophenyl)-3-(furan-2-yl)-N-propan-2-ylpyrazole-5-carboxamide

C17H16ClN3O2 — CID 2382321

IUPAC1-(4-chlorophenyl)-3-(furan-2-yl)-N-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2ccco2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O2/c1-11(2)19-17(22)15-10-14(16-4-3-9-23-16)20-21(15)13-7-5-12(18)6-8-13/h3-11H,1-2H3,(H,19,22)
InChIKeyJRQPHAYPLDKISU-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.92
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(furan-2-yl)-N-propan-2-ylpyrazole-5-carboxamide

1-(4-chlorophenyl)-3-(furan-2-yl)-N-propan-2-ylpyrazole-5-carboxamide (PubChem CID 2382321) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(furan-2-yl)-N-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(furan-2-yl)-N-propan-2-ylpyrazole-5-carboxamide
PubChem CID2382321
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name1-(4-chlorophenyl)-3-(furan-2-yl)-N-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2ccco2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O2/c1-11(2)19-17(22)15-10-14(16-4-3-9-23-16)20-21(15)13-7-5-12(18)6-8-13/h3-11H,1-2H3,(H,19,22)
InChIKeyJRQPHAYPLDKISU-UHFFFAOYSA-N
XLogP3.92
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-5-(2-furyl)pyrazole-3-carboxylic Acid
CID 812103
[2-(3-Chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-piperidin-1-ylmethanone
CID 1053503
2-[5-(2-furyl)-3-methyl-1H-pyrazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 5308195
N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 6620408
5-(furan-2-yl)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-1H-pyrazole-3-carboxamide
CID 11504199
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 16301506
N-(4-chlorophenyl)-1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidine-3-carboxamide
CID 121318024
N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 5307834
N-Cycloheptyl-5-(3-fluorophenyl)-2-(furan-2-YL)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-6-carboxamide
CID 46272562
5-[(2-Chlorophenyl)methyl]-N-cycloheptyl-2-(furan-2-YL)-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-6-carboxamide
CID 46272559
N-[2-(dimethylamino)ethyl]-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 5308038
1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide
CID 18155726

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(furan-2-yl)-N-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-3-(furan-2-yl)-N-propan-2-ylpyrazole-5-carboxamide (CID 2382321) is 1-(4-chlorophenyl)-3-(furan-2-yl)-N-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(furan-2-yl)-N-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-3-(furan-2-yl)-N-propan-2-ylpyrazole-5-carboxamide is CC(C)NC(=O)c1cc(-c2ccco2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(furan-2-yl)-N-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is JRQPHAYPLDKISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-11(2)19-17(22)15-10-14(16-4-3-9-23-16)20-21(15)13-7-5-12(18)6-8-13/h3-11H,1-2H3,(H,19,22).
What are the key properties of 1-(4-chlorophenyl)-3-(furan-2-yl)-N-propan-2-ylpyrazole-5-carboxamide?
1-(4-chlorophenyl)-3-(furan-2-yl)-N-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 329.79 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(furan-2-yl)-N-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 2382321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).