N-[1-(3-chlorophenyl)cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

C17H17ClF3N3O — CID 155955920

IUPACN-[1-(3-chlorophenyl)cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)NC1(c2cccc(Cl)c2)CCC1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C17H17ClF3N3O/c1-11(24-9-6-14(23-24)17(19,20)21)15(25)22-16(7-3-8-16)12-4-2-5-13(18)10-12/h2,4-6,9-11H,3,7-8H2,1H3,(H,22,25)
InChIKeyVACOAWBLVZXSHT-UHFFFAOYSA-N
MW371.79 g/mol
LogP4.31
Rot. Bonds4

About N-[1-(3-chlorophenyl)cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-[1-(3-chlorophenyl)cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 155955920) has the molecular formula C17H17ClF3N3O and a molecular weight of 371.79 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID155955920
Molecular FormulaC17H17ClF3N3O
Molecular Weight371.79 g/mol
Exact Mass371.10
IUPAC NameN-[1-(3-chlorophenyl)cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)NC1(c2cccc(Cl)c2)CCC1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C17H17ClF3N3O/c1-11(24-9-6-14(23-24)17(19,20)21)15(25)22-16(7-3-8-16)12-4-2-5-13(18)10-12/h2,4-6,9-11H,3,7-8H2,1H3,(H,22,25)
InChIKeyVACOAWBLVZXSHT-UHFFFAOYSA-N
XLogP4.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.79
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110441196
3-amino-N-[1-(3-chlorophenyl)cyclopropyl]-2-methylbutanamide;hydrochloride
CID 120501433
N-[1-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(methylamino)propanamide
CID 119799433
N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 155953494
(2S)-N-(2-methylsulfanylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 96540208
(2R)-N-(1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 35327611
2-methyl-3-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide;hydrochloride
CID 119806417
1-[1-(3-chlorophenyl)cyclopropyl]-3-(2-hydroxypropyl)urea
CID 110490727
[1-(3-chlorophenyl)cyclopropyl]carbamic acid
CID 122529573
N-[3-(methylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 136556916
N-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 45147775
1-[1-(3-chlorophenyl)cyclopropyl]-3-ethylurea
CID 110490719

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[1-(3-chlorophenyl)cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 155955920) is N-[1-(3-chlorophenyl)cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[1-(3-chlorophenyl)cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is CC(C(=O)NC1(c2cccc(Cl)c2)CCC1)n1ccc(C(F)(F)F)n1.
What is the InChIKey of N-[1-(3-chlorophenyl)cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is VACOAWBLVZXSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O/c1-11(24-9-6-14(23-24)17(19,20)21)15(25)22-16(7-3-8-16)12-4-2-5-13(18)10-12/h2,4-6,9-11H,3,7-8H2,1H3,(H,22,25).
What are the key properties of N-[1-(3-chlorophenyl)cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-[1-(3-chlorophenyl)cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 371.79 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 155955920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).