3-(2-chlorophenyl)-N-[1-(furan-2-yl)propan-2-yl]-1H-pyrazole-5-carboxamide

C17H16ClN3O2 — CID 47027176

IUPAC3-(2-chlorophenyl)-N-[1-(furan-2-yl)propan-2-yl]-1H-pyrazole-5-carboxamide
SMILESCC(Cc1ccco1)NC(=O)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C17H16ClN3O2/c1-11(9-12-5-4-8-23-12)19-17(22)16-10-15(20-21-16)13-6-2-3-7-14(13)18/h2-8,10-11H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyVGSHEEZNZNPGSR-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.68
Rot. Bonds5

About 3-(2-chlorophenyl)-N-[1-(furan-2-yl)propan-2-yl]-1H-pyrazole-5-carboxamide

3-(2-chlorophenyl)-N-[1-(furan-2-yl)propan-2-yl]-1H-pyrazole-5-carboxamide (PubChem CID 47027176) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[1-(furan-2-yl)propan-2-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[1-(furan-2-yl)propan-2-yl]-1H-pyrazole-5-carboxamide
PubChem CID47027176
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name3-(2-chlorophenyl)-N-[1-(furan-2-yl)propan-2-yl]-1H-pyrazole-5-carboxamide
SMILESCC(Cc1ccco1)NC(=O)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C17H16ClN3O2/c1-11(9-12-5-4-8-23-12)19-17(22)16-10-15(20-21-16)13-6-2-3-7-14(13)18/h2-8,10-11H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyVGSHEEZNZNPGSR-UHFFFAOYSA-N
XLogP3.68
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47168787
2-[[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylpentanoic acid
CID 119211443
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 78861611
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
N-[1-(furan-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 42957156
5-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-hydroxybenzamide
CID 47168819
2-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyridine-4-carboxamide
CID 113378355
N-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19510030
5-chloro-2-(ethylamino)-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 62179264
2-(ethylamino)-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 62179091
N-[1-(furan-2-yl)propan-2-yl]-2-(methylamino)pyridine-3-carboxamide
CID 62180683
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]benzamide
CID 92865777

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[1-(furan-2-yl)propan-2-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[1-(furan-2-yl)propan-2-yl]-1H-pyrazole-5-carboxamide (CID 47027176) is 3-(2-chlorophenyl)-N-[1-(furan-2-yl)propan-2-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[1-(furan-2-yl)propan-2-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[1-(furan-2-yl)propan-2-yl]-1H-pyrazole-5-carboxamide is CC(Cc1ccco1)NC(=O)c1cc(-c2ccccc2Cl)n[nH]1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[1-(furan-2-yl)propan-2-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is VGSHEEZNZNPGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-11(9-12-5-4-8-23-12)19-17(22)16-10-15(20-21-16)13-6-2-3-7-14(13)18/h2-8,10-11H,9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-(2-chlorophenyl)-N-[1-(furan-2-yl)propan-2-yl]-1H-pyrazole-5-carboxamide?
3-(2-chlorophenyl)-N-[1-(furan-2-yl)propan-2-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 329.79 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[1-(furan-2-yl)propan-2-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 47027176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).