4-[[3-(difluoromethoxy)benzoyl]amino]-1-methylpyrazole-5-carboxamide

C13H12F2N4O3 — CID 19412265

IUPAC4-[[3-(difluoromethoxy)benzoyl]amino]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)c2cccc(OC(F)F)c2)c1C(N)=O
InChIInChI=1S/C13H12F2N4O3/c1-19-10(11(16)20)9(6-17-19)18-12(21)7-3-2-4-8(5-7)22-13(14)15/h2-6,13H,1H3,(H2,16,20)(H,18,21)
InChIKeyVMJKJPOAXZOCOA-UHFFFAOYSA-N
MW310.26 g/mol
LogP1.37
Rot. Bonds5

About 4-[[3-(difluoromethoxy)benzoyl]amino]-1-methylpyrazole-5-carboxamide

4-[[3-(difluoromethoxy)benzoyl]amino]-1-methylpyrazole-5-carboxamide (PubChem CID 19412265) has the molecular formula C13H12F2N4O3 and a molecular weight of 310.26 g/mol. Its IUPAC name is 4-[[3-(difluoromethoxy)benzoyl]amino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[3-(difluoromethoxy)benzoyl]amino]-1-methylpyrazole-5-carboxamide
PubChem CID19412265
Molecular FormulaC13H12F2N4O3
Molecular Weight310.26 g/mol
Exact Mass310.09
IUPAC Name4-[[3-(difluoromethoxy)benzoyl]amino]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)c2cccc(OC(F)F)c2)c1C(N)=O
InChIInChI=1S/C13H12F2N4O3/c1-19-10(11(16)20)9(6-17-19)18-12(21)7-3-2-4-8(5-7)22-13(14)15/h2-6,13H,1H3,(H2,16,20)(H,18,21)
InChIKeyVMJKJPOAXZOCOA-UHFFFAOYSA-N
XLogP1.37
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-fluorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4867279
3-(difluoromethoxy)-N-(5-methyl-1-phenylpyrazol-4-yl)benzamide
CID 99625046
4-chloro-3-[[3-(difluoromethoxy)benzoyl]amino]benzamide
CID 56785873
4-[(3,4-diethoxybenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 19412187
4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4862680
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide
CID 19296446
N-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide
CID 28973900
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[(3-methoxybenzoyl)amino]pyrazole-5-carboxamide
CID 19339079
N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide
CID 19411137
3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide
CID 844019
N-(4-acetamidophenyl)-3-(difluoromethoxy)benzamide
CID 2583008
N-(4-amino-2-bromophenyl)-3-(difluoromethoxy)benzamide
CID 43549460

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(difluoromethoxy)benzoyl]amino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[[3-(difluoromethoxy)benzoyl]amino]-1-methylpyrazole-5-carboxamide (CID 19412265) is 4-[[3-(difluoromethoxy)benzoyl]amino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[[3-(difluoromethoxy)benzoyl]amino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[[3-(difluoromethoxy)benzoyl]amino]-1-methylpyrazole-5-carboxamide is Cn1ncc(NC(=O)c2cccc(OC(F)F)c2)c1C(N)=O.
What is the InChIKey of 4-[[3-(difluoromethoxy)benzoyl]amino]-1-methylpyrazole-5-carboxamide?
The InChIKey is VMJKJPOAXZOCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N4O3/c1-19-10(11(16)20)9(6-17-19)18-12(21)7-3-2-4-8(5-7)22-13(14)15/h2-6,13H,1H3,(H2,16,20)(H,18,21).
What are the key properties of 4-[[3-(difluoromethoxy)benzoyl]amino]-1-methylpyrazole-5-carboxamide?
4-[[3-(difluoromethoxy)benzoyl]amino]-1-methylpyrazole-5-carboxamide has a molecular weight of 310.26 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(difluoromethoxy)benzoyl]amino]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19412265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).