N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C18H19F4N3O — CID 86827891

IUPACN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C18H19F4N3O/c1-25-10-14(15(24-25)18(20,21)22)16(26)23-11-17(8-2-3-9-17)12-4-6-13(19)7-5-12/h4-7,10H,2-3,8-9,11H2,1H3,(H,23,26)
InChIKeyNTVHIBDXTSPOHW-UHFFFAOYSA-N
MW369.36 g/mol
LogP3.82
Rot. Bonds4

About N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 86827891) has the molecular formula C18H19F4N3O and a molecular weight of 369.36 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID86827891
Molecular FormulaC18H19F4N3O
Molecular Weight369.36 g/mol
Exact Mass369.15
IUPAC NameN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C18H19F4N3O/c1-25-10-14(15(24-25)18(20,21)22)16(26)23-11-17(8-2-3-9-17)12-4-6-13(19)7-5-12/h4-7,10H,2-3,8-9,11H2,1H3,(H,23,26)
InChIKeyNTVHIBDXTSPOHW-UHFFFAOYSA-N
XLogP3.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide
CID 122559279
N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 139011300
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
CID 42266020
1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94119990
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide
CID 47042253
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-pyrazol-1-ylbenzamide
CID 87004293
4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidine-5-carboxamide
CID 126774582
4-chloro-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-nitrobenzamide
CID 60555753
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-3-methylbenzamide
CID 112835532
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide
CID 42266052
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide
CID 87014302

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 86827891) is N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is Cn1cc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)c(C(F)(F)F)n1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is NTVHIBDXTSPOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F4N3O/c1-25-10-14(15(24-25)18(20,21)22)16(26)23-11-17(8-2-3-9-17)12-4-6-13(19)7-5-12/h4-7,10H,2-3,8-9,11H2,1H3,(H,23,26).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 369.36 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 86827891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).