4-pyrazol-1-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide

C16H18F3N3O — CID 94345249

IUPAC4-pyrazol-1-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
SMILESC[C@H](NC(=O)CCCn1cccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H18F3N3O/c1-12(13-5-7-14(8-6-13)16(17,18)19)21-15(23)4-2-10-22-11-3-9-20-22/h3,5-9,11-12H,2,4,10H2,1H3,(H,21,23)/t12-/m0/s1
InChIKeyLMTIOLCGGHWFRB-LBPRGKRZSA-N
MW325.33 g/mol
LogP3.56
Rot. Bonds6

About 4-pyrazol-1-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide

4-pyrazol-1-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide (PubChem CID 94345249) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
PubChem CID94345249
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name4-pyrazol-1-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
SMILESC[C@H](NC(=O)CCCn1cccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H18F3N3O/c1-12(13-5-7-14(8-6-13)16(17,18)19)21-15(23)4-2-10-22-11-3-9-20-22/h3,5-9,11-12H,2,4,10H2,1H3,(H,21,23)/t12-/m0/s1
InChIKeyLMTIOLCGGHWFRB-LBPRGKRZSA-N
XLogP3.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide
CID 86979952
3-bromo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 113385199
3-(pyrimidin-2-ylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 47054884
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-4-pyrazol-1-ylbutanamide
CID 118775554
2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 43711973
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 46449013
N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-4-pyrazol-1-ylbutanamide
CID 131951204
5-amino-4-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 82013742
N-(2-hydroxy-1-phenylethyl)-4-pyrazol-1-ylbutanamide
CID 91638874
N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272046
N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78778424
3-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119949428

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide?
The IUPAC name of 4-pyrazol-1-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide (CID 94345249) is 4-pyrazol-1-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide.
What is the SMILES notation for 4-pyrazol-1-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide?
The canonical SMILES for 4-pyrazol-1-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide is C[C@H](NC(=O)CCCn1cccn1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-pyrazol-1-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide?
The InChIKey is LMTIOLCGGHWFRB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-12(13-5-7-14(8-6-13)16(17,18)19)21-15(23)4-2-10-22-11-3-9-20-22/h3,5-9,11-12H,2,4,10H2,1H3,(H,21,23)/t12-/m0/s1.
What are the key properties of 4-pyrazol-1-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide?
4-pyrazol-1-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide has a molecular weight of 325.33 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide is sourced from PubChem (CID 94345249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).