1-(2-chlorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C17H15ClF3N5O — CID 57458701

IUPAC1-(2-chlorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCN(Cc1nccn1C)C(=O)c1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C17H15ClF3N5O/c1-24-8-7-22-15(24)10-25(2)16(27)13-9-14(17(19,20)21)23-26(13)12-6-4-3-5-11(12)18/h3-9H,10H2,1-2H3
InChIKeyTYXOHMKVZANITA-UHFFFAOYSA-N
MW397.79 g/mol
LogP3.55
Rot. Bonds4

About 1-(2-chlorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-(2-chlorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 57458701) has the molecular formula C17H15ClF3N5O and a molecular weight of 397.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID57458701
Molecular FormulaC17H15ClF3N5O
Molecular Weight397.79 g/mol
Exact Mass397.09
IUPAC Name1-(2-chlorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCN(Cc1nccn1C)C(=O)c1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C17H15ClF3N5O/c1-24-8-7-22-15(24)10-25(2)16(27)13-9-14(17(19,20)21)23-26(13)12-6-4-3-5-11(12)18/h3-9H,10H2,1-2H3
InChIKeyTYXOHMKVZANITA-UHFFFAOYSA-N
XLogP3.55
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.79
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 57458701) is 1-(2-chlorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is CN(Cc1nccn1C)C(=O)c1cc(C(F)(F)F)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is TYXOHMKVZANITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N5O/c1-24-8-7-22-15(24)10-25(2)16(27)13-9-14(17(19,20)21)23-26(13)12-6-4-3-5-11(12)18/h3-9H,10H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-(2-chlorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 397.79 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 57458701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).