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

C17H14ClF3N4O2 — CID 59240034

IUPAC1-(2-chlorophenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cc(CN(C)C(=O)c2cc(C(F)(F)F)nn2-c2ccccc2Cl)on1
InChIInChI=1S/C17H14ClF3N4O2/c1-10-7-11(27-23-10)9-24(2)16(26)14-8-15(17(19,20)21)22-25(14)13-6-4-3-5-12(13)18/h3-8H,9H2,1-2H3
InChIKeyVMKUOCCGZIVZDT-UHFFFAOYSA-N
MW398.77 g/mol
LogP4.11
Rot. Bonds4

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

1-(2-chlorophenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 59240034) has the molecular formula C17H14ClF3N4O2 and a molecular weight of 398.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID59240034
Molecular FormulaC17H14ClF3N4O2
Molecular Weight398.77 g/mol
Exact Mass398.08
IUPAC Name1-(2-chlorophenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cc(CN(C)C(=O)c2cc(C(F)(F)F)nn2-c2ccccc2Cl)on1
InChIInChI=1S/C17H14ClF3N4O2/c1-10-7-11(27-23-10)9-24(2)16(26)14-8-15(17(19,20)21)22-25(14)13-6-4-3-5-12(13)18/h3-8H,9H2,1-2H3
InChIKeyVMKUOCCGZIVZDT-UHFFFAOYSA-N
XLogP4.11
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.77
LogP ≤ 54.11
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-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 59240034) is 1-(2-chlorophenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1cc(CN(C)C(=O)c2cc(C(F)(F)F)nn2-c2ccccc2Cl)on1.
What is the InChIKey of 1-(2-chlorophenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is VMKUOCCGZIVZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N4O2/c1-10-7-11(27-23-10)9-24(2)16(26)14-8-15(17(19,20)21)22-25(14)13-6-4-3-5-12(13)18/h3-8H,9H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-(2-chlorophenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 398.77 g/mol, XLogP of 4.11, 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-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 59240034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).