N-[4-(difluoromethoxy)-3-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide

C13H12F3N3O2 — CID 87026065

IUPACN-[4-(difluoromethoxy)-3-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OC(F)F)c(F)c2)n(C)n1
InChIInChI=1S/C13H12F3N3O2/c1-7-5-10(19(2)18-7)12(20)17-8-3-4-11(9(14)6-8)21-13(15)16/h3-6,13H,1-2H3,(H,17,20)
InChIKeySSKRUQRHWMMAEC-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.72
Rot. Bonds4

About N-[4-(difluoromethoxy)-3-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide

N-[4-(difluoromethoxy)-3-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 87026065) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID87026065
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC NameN-[4-(difluoromethoxy)-3-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OC(F)F)c(F)c2)n(C)n1
InChIInChI=1S/C13H12F3N3O2/c1-7-5-10(19(2)18-7)12(20)17-8-3-4-11(9(14)6-8)21-13(15)16/h3-6,13H,1-2H3,(H,17,20)
InChIKeySSKRUQRHWMMAEC-UHFFFAOYSA-N
XLogP2.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzoic acid
CID 103791549
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzenesulfonyl chloride
CID 66128821
N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685886
N-[4-(difluoromethoxy)-3-fluorophenyl]-2,4-dimethylbenzamide
CID 87025999
3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide
CID 64525284
N-(6-fluoro-3-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide
CID 103789986
N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide
CID 61062106
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87025083
N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 87026056
1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea
CID 47261837
2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19481229
N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685894

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide (CID 87026065) is N-[4-(difluoromethoxy)-3-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(OC(F)F)c(F)c2)n(C)n1.
What is the InChIKey of N-[4-(difluoromethoxy)-3-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is SSKRUQRHWMMAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-7-5-10(19(2)18-7)12(20)17-8-3-4-11(9(14)6-8)21-13(15)16/h3-6,13H,1-2H3,(H,17,20).
What are the key properties of N-[4-(difluoromethoxy)-3-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[4-(difluoromethoxy)-3-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 299.25 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 87026065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).