N-[2-(difluoromethoxy)-4-methylphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

C16H13F2N3O3 — CID 19513943

IUPACN-[2-(difluoromethoxy)-4-methylphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccco3)[nH]n2)c(OC(F)F)c1
InChIInChI=1S/C16H13F2N3O3/c1-9-4-5-10(14(7-9)24-16(17)18)19-15(22)12-8-11(20-21-12)13-3-2-6-23-13/h2-8,16H,1H3,(H,19,22)(H,20,21)
InChIKeyYMPHUIKQPWZTLX-UHFFFAOYSA-N
MW333.29 g/mol
LogP3.83
Rot. Bonds5

About N-[2-(difluoromethoxy)-4-methylphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

N-[2-(difluoromethoxy)-4-methylphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 19513943) has the molecular formula C16H13F2N3O3 and a molecular weight of 333.29 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-methylphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-4-methylphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID19513943
Molecular FormulaC16H13F2N3O3
Molecular Weight333.29 g/mol
Exact Mass333.09
IUPAC NameN-[2-(difluoromethoxy)-4-methylphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccco3)[nH]n2)c(OC(F)F)c1
InChIInChI=1S/C16H13F2N3O3/c1-9-4-5-10(14(7-9)24-16(17)18)19-15(22)12-8-11(20-21-12)13-3-2-6-23-13/h2-8,16H,1H3,(H,19,22)(H,20,21)
InChIKeyYMPHUIKQPWZTLX-UHFFFAOYSA-N
XLogP3.83
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethoxy)-6-methylphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 51105567
N-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19514034
5-(furan-2-yl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 47156334
5-(furan-2-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
CID 34564904
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 87045713
5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 19513850
N-(2,4-dimethylphenyl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 110331928
5-(furan-2-yl)-N-(2-hydroxy-4-nitrophenyl)-1H-pyrazole-3-carboxamide
CID 19514103
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-methylphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)-4-methylphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 19513943) is N-[2-(difluoromethoxy)-4-methylphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-4-methylphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)-4-methylphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccco3)[nH]n2)c(OC(F)F)c1.
What is the InChIKey of N-[2-(difluoromethoxy)-4-methylphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is YMPHUIKQPWZTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O3/c1-9-4-5-10(14(7-9)24-16(17)18)19-15(22)12-8-11(20-21-12)13-3-2-6-23-13/h2-8,16H,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(difluoromethoxy)-4-methylphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-[2-(difluoromethoxy)-4-methylphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 333.29 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-4-methylphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19513943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).