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

C19H24F3N3O — CID 71909128

IUPACN,5-dimethyl-1-pentan-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCCC(CC)n1ncc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1C
InChIInChI=1S/C19H24F3N3O/c1-5-16(6-2)25-13(3)17(11-23-25)18(26)24(4)12-14-7-9-15(10-8-14)19(20,21)22/h7-11,16H,5-6,12H2,1-4H3
InChIKeyIXLXUVKMBGRBPF-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.84
Rot. Bonds6

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

N,5-dimethyl-1-pentan-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 71909128) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is N,5-dimethyl-1-pentan-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-1-pentan-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID71909128
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC NameN,5-dimethyl-1-pentan-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCCC(CC)n1ncc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1C
InChIInChI=1S/C19H24F3N3O/c1-5-16(6-2)25-13(3)17(11-23-25)18(26)24(4)12-14-7-9-15(10-8-14)19(20,21)22/h7-11,16H,5-6,12H2,1-4H3
InChIKeyIXLXUVKMBGRBPF-UHFFFAOYSA-N
XLogP4.84
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-pentan-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-1-pentan-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 71909128) is N,5-dimethyl-1-pentan-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-1-pentan-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-1-pentan-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is CCC(CC)n1ncc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1C.
What is the InChIKey of N,5-dimethyl-1-pentan-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is IXLXUVKMBGRBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O/c1-5-16(6-2)25-13(3)17(11-23-25)18(26)24(4)12-14-7-9-15(10-8-14)19(20,21)22/h7-11,16H,5-6,12H2,1-4H3.
What are the key properties of N,5-dimethyl-1-pentan-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
N,5-dimethyl-1-pentan-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-pentan-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 71909128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).