N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

C12H14F3N5O — CID 19575300

IUPACN,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C12H14F3N5O/c1-18(6-8-5-16-19(2)7-8)11(21)9-4-10(12(13,14)15)20(3)17-9/h4-5,7H,6H2,1-3H3
InChIKeyKGMJEIYAHYOMKG-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.44
Rot. Bonds3

About N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19575300) has the molecular formula C12H14F3N5O and a molecular weight of 301.27 g/mol. Its IUPAC name is N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19575300
Molecular FormulaC12H14F3N5O
Molecular Weight301.27 g/mol
Exact Mass301.12
IUPAC NameN,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C12H14F3N5O/c1-18(6-8-5-16-19(2)7-8)11(21)9-4-10(12(13,14)15)20(3)17-9/h4-5,7H,6H2,1-3H3
InChIKeyKGMJEIYAHYOMKG-UHFFFAOYSA-N
XLogP1.44
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19575300) is N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide is CN(Cc1cnn(C)c1)C(=O)c1cc(C(F)(F)F)n(C)n1.
What is the InChIKey of N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is KGMJEIYAHYOMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O/c1-18(6-8-5-16-19(2)7-8)11(21)9-4-10(12(13,14)15)20(3)17-9/h4-5,7H,6H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 301.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19575300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).