3-(furan-2-yl)-1-phenyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-5-carboxamide

C21H19N3O2S — CID 55975353

IUPAC3-(furan-2-yl)-1-phenyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-5-carboxamide
SMILESCC(Cc1ccsc1)NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C21H19N3O2S/c1-15(12-16-9-11-27-14-16)22-21(25)19-13-18(20-8-5-10-26-20)23-24(19)17-6-3-2-4-7-17/h2-11,13-15H,12H2,1H3,(H,22,25)
InChIKeyJLLVRUYSAMHIKG-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.55
Rot. Bonds6

About 3-(furan-2-yl)-1-phenyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-5-carboxamide

3-(furan-2-yl)-1-phenyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-5-carboxamide (PubChem CID 55975353) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-phenyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(furan-2-yl)-1-phenyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-5-carboxamide
PubChem CID55975353
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name3-(furan-2-yl)-1-phenyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-5-carboxamide
SMILESCC(Cc1ccsc1)NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C21H19N3O2S/c1-15(12-16-9-11-27-14-16)22-21(25)19-13-18(20-8-5-10-26-20)23-24(19)17-6-3-2-4-7-17/h2-11,13-15H,12H2,1H3,(H,22,25)
InChIKeyJLLVRUYSAMHIKG-UHFFFAOYSA-N
XLogP4.55
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide
CID 78855996
N-[(2R)-butan-2-yl]-1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 771696
3-(furan-2-yl)-1-(4-methylphenyl)-N-(1-phenylethyl)pyrazole-5-carboxamide
CID 3692522
1-(4-chlorophenyl)-3-(furan-2-yl)-N-propan-2-ylpyrazole-5-carboxamide
CID 2382321
3-(furan-2-yl)-1-phenyl-N-[3-(propanoylamino)phenyl]pyrazole-5-carboxamide
CID 46569851
N-butan-2-yl-3-(furan-2-yl)-1-methylpyrazole-5-carboxamide
CID 42656738
N-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide
CID 7930702
3-(furan-2-yl)-1-(4-nitrophenyl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide
CID 1053683
3-(furan-2-yl)-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-phenylpyrazole-5-carboxamide
CID 167548571
1,3-dimethyl-2,6-dioxo-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4-carboxamide
CID 131894123
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 771691
N-[(2S)-butan-2-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxamide
CID 812311

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-phenyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 3-(furan-2-yl)-1-phenyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-5-carboxamide (CID 55975353) is 3-(furan-2-yl)-1-phenyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(furan-2-yl)-1-phenyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(furan-2-yl)-1-phenyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-5-carboxamide is CC(Cc1ccsc1)NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1.
What is the InChIKey of 3-(furan-2-yl)-1-phenyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-5-carboxamide?
The InChIKey is JLLVRUYSAMHIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-15(12-16-9-11-27-14-16)22-21(25)19-13-18(20-8-5-10-26-20)23-24(19)17-6-3-2-4-7-17/h2-11,13-15H,12H2,1H3,(H,22,25).
What are the key properties of 3-(furan-2-yl)-1-phenyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-5-carboxamide?
3-(furan-2-yl)-1-phenyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-5-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-phenyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 55975353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).