3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide

C12H11F2N3O2 — CID 19514374

IUPAC3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(OC(F)F)cc2)n[nH]1
InChIInChI=1S/C12H11F2N3O2/c1-15-11(18)10-6-9(16-17-10)7-2-4-8(5-3-7)19-12(13)14/h2-6,12H,1H3,(H,15,18)(H,16,17)
InChIKeyYJDWVTQHXURUBH-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.04
Rot. Bonds4

About 3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide

3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 19514374) has the molecular formula C12H11F2N3O2 and a molecular weight of 267.24 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID19514374
Molecular FormulaC12H11F2N3O2
Molecular Weight267.24 g/mol
Exact Mass267.08
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(OC(F)F)cc2)n[nH]1
InChIInChI=1S/C12H11F2N3O2/c1-15-11(18)10-6-9(16-17-10)7-2-4-8(5-3-7)19-12(13)14/h2-6,12H,1H3,(H,15,18)(H,16,17)
InChIKeyYJDWVTQHXURUBH-UHFFFAOYSA-N
XLogP2.04
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(difluoromethoxy)phenyl]-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514191
3-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 19514167
3-[4-(difluoromethoxy)phenyl]-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide
CID 19514379
3-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide
CID 19514396
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19514246
dimethyl 5-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 19514163
3-(4-chlorophenyl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide
CID 19509508
N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508924
3-(1,3-benzodioxol-5-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazole-5-carboxamide
CID 19513359
ethyl 2-[2-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19514215
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19514297
N-(1-benzyl-1,2,4-triazol-3-yl)-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19514316

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide (CID 19514374) is 3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide is CNC(=O)c1cc(-c2ccc(OC(F)F)cc2)n[nH]1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is YJDWVTQHXURUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2/c1-15-11(18)10-6-9(16-17-10)7-2-4-8(5-3-7)19-12(13)14/h2-6,12H,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide?
3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 267.24 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19514374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).