5-chloro-1-methyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

C16H17ClF3N3O2 — CID 134224047

IUPAC5-chloro-1-methyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1c(NC(=O)c2c(C(F)(F)F)nn(C)c2Cl)cccc1OC(C)C
InChIInChI=1S/C16H17ClF3N3O2/c1-8(2)25-11-7-5-6-10(9(11)3)21-15(24)12-13(16(18,19)20)22-23(4)14(12)17/h5-8H,1-4H3,(H,21,24)
InChIKeyIKNAGNRMXDZDRS-UHFFFAOYSA-N
MW375.78 g/mol
LogP4.44
Rot. Bonds4

About 5-chloro-1-methyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

5-chloro-1-methyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134224047) has the molecular formula C16H17ClF3N3O2 and a molecular weight of 375.78 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134224047
Molecular FormulaC16H17ClF3N3O2
Molecular Weight375.78 g/mol
Exact Mass375.10
IUPAC Name5-chloro-1-methyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1c(NC(=O)c2c(C(F)(F)F)nn(C)c2Cl)cccc1OC(C)C
InChIInChI=1S/C16H17ClF3N3O2/c1-8(2)25-11-7-5-6-10(9(11)3)21-15(24)12-13(16(18,19)20)22-23(4)14(12)17/h5-8H,1-4H3,(H,21,24)
InChIKeyIKNAGNRMXDZDRS-UHFFFAOYSA-N
XLogP4.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.78
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-methyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 134224047) is 5-chloro-1-methyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-methyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide is Cc1c(NC(=O)c2c(C(F)(F)F)nn(C)c2Cl)cccc1OC(C)C.
What is the InChIKey of 5-chloro-1-methyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is IKNAGNRMXDZDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF3N3O2/c1-8(2)25-11-7-5-6-10(9(11)3)21-15(24)12-13(16(18,19)20)22-23(4)14(12)17/h5-8H,1-4H3,(H,21,24).
What are the key properties of 5-chloro-1-methyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
5-chloro-1-methyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 375.78 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134224047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).