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

C17H15ClF3N5O — CID 59240215

IUPAC1-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cc(CN(C)C(=O)c2cc(C(F)(F)F)nn2-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C17H15ClF3N5O/c1-10-7-11(23-22-10)9-25(2)16(27)14-8-15(17(19,20)21)24-26(14)13-6-4-3-5-12(13)18/h3-8H,9H2,1-2H3,(H,22,23)
InChIKeyHWVIVQXLHQUUQT-UHFFFAOYSA-N
MW397.79 g/mol
LogP3.85
Rot. Bonds4

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

1-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 59240215) has the molecular formula C17H15ClF3N5O and a molecular weight of 397.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID59240215
Molecular FormulaC17H15ClF3N5O
Molecular Weight397.79 g/mol
Exact Mass397.09
IUPAC Name1-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cc(CN(C)C(=O)c2cc(C(F)(F)F)nn2-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C17H15ClF3N5O/c1-10-7-11(23-22-10)9-25(2)16(27)14-8-15(17(19,20)21)24-26(14)13-6-4-3-5-12(13)18/h3-8H,9H2,1-2H3,(H,22,23)
InChIKeyHWVIVQXLHQUUQT-UHFFFAOYSA-N
XLogP3.85
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.79
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 59240215) is 1-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1cc(CN(C)C(=O)c2cc(C(F)(F)F)nn2-c2ccccc2Cl)n[nH]1.
What is the InChIKey of 1-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is HWVIVQXLHQUUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N5O/c1-10-7-11(23-22-10)9-25(2)16(27)14-8-15(17(19,20)21)24-26(14)13-6-4-3-5-12(13)18/h3-8H,9H2,1-2H3,(H,22,23).
What are the key properties of 1-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 397.79 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 59240215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).