N-[5-[2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide

C20H25F3N4O — CID 59173977

IUPACN-[5-[2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
SMILESCc1c(-c2cc(NC(=O)CCCN3CCCCC3)n[nH]2)cccc1C(F)(F)F
InChIInChI=1S/C20H25F3N4O/c1-14-15(7-5-8-16(14)20(21,22)23)17-13-18(26-25-17)24-19(28)9-6-12-27-10-3-2-4-11-27/h5,7-8,13H,2-4,6,9-12H2,1H3,(H2,24,25,26,28)
InChIKeyYKQRBEXCGCVMLF-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.61
Rot. Bonds6

About N-[5-[2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide

N-[5-[2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide (PubChem CID 59173977) has the molecular formula C20H25F3N4O and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[5-[2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-[2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
PubChem CID59173977
Molecular FormulaC20H25F3N4O
Molecular Weight394.44 g/mol
Exact Mass394.20
IUPAC NameN-[5-[2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
SMILESCc1c(-c2cc(NC(=O)CCCN3CCCCC3)n[nH]2)cccc1C(F)(F)F
InChIInChI=1S/C20H25F3N4O/c1-14-15(7-5-8-16(14)20(21,22)23)17-13-18(26-25-17)24-19(28)9-6-12-27-10-3-2-4-11-27/h5,7-8,13H,2-4,6,9-12H2,1H3,(H2,24,25,26,28)
InChIKeyYKQRBEXCGCVMLF-UHFFFAOYSA-N
XLogP4.61
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59173854
4-pyrrolidin-1-yl-N-[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide
CID 59173970
4-pyrrolidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide
CID 59173832
N-[5-(5-chloro-2-methylphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59173771
4-piperidin-1-yl-N-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]butanamide
CID 59173772
N-[5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59173991
4-(azetidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide
CID 24998675
4-pyrrolidin-1-yl-N-[5-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide
CID 59173864
N-[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59173983
N-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59173824
4-(azepan-1-yl)-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]butanamide
CID 25029479
N-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59173834

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[5-[2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide (CID 59173977) is N-[5-[2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[5-[2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[5-[2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide is Cc1c(-c2cc(NC(=O)CCCN3CCCCC3)n[nH]2)cccc1C(F)(F)F.
What is the InChIKey of N-[5-[2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The InChIKey is YKQRBEXCGCVMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O/c1-14-15(7-5-8-16(14)20(21,22)23)17-13-18(26-25-17)24-19(28)9-6-12-27-10-3-2-4-11-27/h5,7-8,13H,2-4,6,9-12H2,1H3,(H2,24,25,26,28).
What are the key properties of N-[5-[2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
N-[5-[2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide has a molecular weight of 394.44 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 59173977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).