N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

C16H13FN4O3 — CID 87045713

IUPACN-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C16H13FN4O3/c1-8-10(17)5-9(15(18)22)6-11(8)19-16(23)13-7-12(20-21-13)14-3-2-4-24-14/h2-7H,1H3,(H2,18,22)(H,19,23)(H,20,21)
InChIKeyMHYNXRGSECTDDO-UHFFFAOYSA-N
MW328.30 g/mol
LogP2.47
Rot. Bonds4

About N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 87045713) has the molecular formula C16H13FN4O3 and a molecular weight of 328.30 g/mol. Its IUPAC name is N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID87045713
Molecular FormulaC16H13FN4O3
Molecular Weight328.30 g/mol
Exact Mass328.10
IUPAC NameN-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C16H13FN4O3/c1-8-10(17)5-9(15(18)22)6-11(8)19-16(23)13-7-12(20-21-13)14-3-2-4-24-14/h2-7H,1H3,(H2,18,22)(H,19,23)(H,20,21)
InChIKeyMHYNXRGSECTDDO-UHFFFAOYSA-N
XLogP2.47
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(furan-2-yl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 47156334
N-[2-(difluoromethoxy)-4-methylphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513943
5-(furan-2-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
CID 34564904
5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 19513850
N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6626158
5-(furan-2-yl)-N-(1-methylindazol-4-yl)-1H-pyrazole-3-carboxamide
CID 146127327
5-(furan-2-yl)-N-(1-methylindol-4-yl)-1H-pyrazole-3-carboxamide
CID 71704027
ethyl 2-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 19513885
N-[2-(2,6-difluorophenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 87036753
5-(furan-2-yl)-N-(2-hydroxy-4-nitrophenyl)-1H-pyrazole-3-carboxamide
CID 19514103
N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 146132437
N-[2-(difluoromethoxy)-6-methylphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 51105567

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 87045713) is N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is Cc1c(F)cc(C(N)=O)cc1NC(=O)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is MHYNXRGSECTDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3/c1-8-10(17)5-9(15(18)22)6-11(8)19-16(23)13-7-12(20-21-13)14-3-2-4-24-14/h2-7H,1H3,(H2,18,22)(H,19,23)(H,20,21).
What are the key properties of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 328.30 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 87045713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).