5-methyl-N-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide;hydrochloride

C12H11ClF3N3O — CID 175062059

IUPAC5-methyl-N-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide;hydrochloride
SMILESCc1[nH]nc(C(F)(F)F)c1C(=O)Nc1ccccc1.Cl
InChIInChI=1S/C12H10F3N3O.ClH/c1-7-9(10(18-17-7)12(13,14)15)11(19)16-8-5-3-2-4-6-8;/h2-6H,1H3,(H,16,19)(H,17,18);1H
InChIKeyBTDPMKSDJHKTBK-UHFFFAOYSA-N
MW305.69 g/mol
LogP3.41
Rot. Bonds2

About 5-methyl-N-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide;hydrochloride

5-methyl-N-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide;hydrochloride (PubChem CID 175062059) has the molecular formula C12H11ClF3N3O and a molecular weight of 305.69 g/mol. Its IUPAC name is 5-methyl-N-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-N-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide;hydrochloride
PubChem CID175062059
Molecular FormulaC12H11ClF3N3O
Molecular Weight305.69 g/mol
Exact Mass305.05
IUPAC Name5-methyl-N-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide;hydrochloride
SMILESCc1[nH]nc(C(F)(F)F)c1C(=O)Nc1ccccc1.Cl
InChIInChI=1S/C12H10F3N3O.ClH/c1-7-9(10(18-17-7)12(13,14)15)11(19)16-8-5-3-2-4-6-8;/h2-6H,1H3,(H,16,19)(H,17,18);1H
InChIKeyBTDPMKSDJHKTBK-UHFFFAOYSA-N
XLogP3.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.69
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-N-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide;hydrochloride (CID 175062059) is 5-methyl-N-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-N-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-N-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide;hydrochloride is Cc1[nH]nc(C(F)(F)F)c1C(=O)Nc1ccccc1.Cl.
What is the InChIKey of 5-methyl-N-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide;hydrochloride?
The InChIKey is BTDPMKSDJHKTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O.ClH/c1-7-9(10(18-17-7)12(13,14)15)11(19)16-8-5-3-2-4-6-8;/h2-6H,1H3,(H,16,19)(H,17,18);1H.
What are the key properties of 5-methyl-N-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide;hydrochloride?
5-methyl-N-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide;hydrochloride has a molecular weight of 305.69 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 175062059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).