1-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide

C13H10F3N5O2 — CID 87008593

IUPAC1-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C(F)(F)F)n1
InChIInChI=1S/C13H10F3N5O2/c1-21-5-7(10(20-21)13(14,15)16)11(22)17-6-2-3-8-9(4-6)19-12(23)18-8/h2-5H,1H3,(H,17,22)(H2,18,19,23)
InChIKeyIAWYVTGNOMRUNR-UHFFFAOYSA-N
MW325.25 g/mol
LogP1.86
Rot. Bonds2

About 1-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 87008593) has the molecular formula C13H10F3N5O2 and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID87008593
Molecular FormulaC13H10F3N5O2
Molecular Weight325.25 g/mol
Exact Mass325.08
IUPAC Name1-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C(F)(F)F)n1
InChIInChI=1S/C13H10F3N5O2/c1-21-5-7(10(20-21)13(14,15)16)11(22)17-6-2-3-8-9(4-6)19-12(23)18-8/h2-5H,1H3,(H,17,22)(H2,18,19,23)
InChIKeyIAWYVTGNOMRUNR-UHFFFAOYSA-N
XLogP1.86
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethynylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008609
N-(3-chloro-4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008367
N-[4-(methanesulfonamido)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87020352
N-(2,5-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008319
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008834
N-[3-(cyclopropylcarbamoyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008414
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 166208969
1-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 86839426
5-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 36704113
N-[4-fluoro-2-(4-fluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 66917224
2-methoxy-5-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 35624437
N-(4-bromo-2-methylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008385

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 87008593) is 1-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C(F)(F)F)n1.
What is the InChIKey of 1-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is IAWYVTGNOMRUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5O2/c1-21-5-7(10(20-21)13(14,15)16)11(22)17-6-2-3-8-9(4-6)19-12(23)18-8/h2-5H,1H3,(H,17,22)(H2,18,19,23).
What are the key properties of 1-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 1.86, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 87008593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).