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

C18H18N4O3 — CID 34564904

IUPAC5-(furan-2-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C18H18N4O3/c1-11(2)19-17(23)12-6-3-4-7-13(12)20-18(24)15-10-14(21-22-15)16-8-5-9-25-16/h3-11H,1-2H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyAYGAKVCXGGLWFR-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.06
Rot. Bonds5

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

5-(furan-2-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide (PubChem CID 34564904) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
PubChem CID34564904
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name5-(furan-2-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C18H18N4O3/c1-11(2)19-17(23)12-6-3-4-7-13(12)20-18(24)15-10-14(21-22-15)16-8-5-9-25-16/h3-11H,1-2H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyAYGAKVCXGGLWFR-UHFFFAOYSA-N
XLogP3.06
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
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CID 146127327
5-(furan-2-yl)-N-(1-methylindol-4-yl)-1H-pyrazole-3-carboxamide
CID 71704027
5-(furan-2-yl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide
CID 124848185
5-(furan-2-yl)-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-3-carboxamide
CID 124841426
N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 119498062
5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 19513850
5-(furan-2-yl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 47156334
N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6626158
N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 55992014
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 87045713
5-(furan-2-yl)-N-(2-hydroxy-4-nitrophenyl)-1H-pyrazole-3-carboxamide
CID 19514103

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide (CID 34564904) is 5-(furan-2-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide is CC(C)NC(=O)c1ccccc1NC(=O)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide?
The InChIKey is AYGAKVCXGGLWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11(2)19-17(23)12-6-3-4-7-13(12)20-18(24)15-10-14(21-22-15)16-8-5-9-25-16/h3-11H,1-2H3,(H,19,23)(H,20,24)(H,21,22).
What are the key properties of 5-(furan-2-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 34564904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).