4-pyrrolidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide

C18H21F3N4O — CID 59173832

IUPAC4-pyrrolidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide
SMILESO=C(CCCN1CCCC1)Nc1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1
InChIInChI=1S/C18H21F3N4O/c19-18(20,21)14-7-5-13(6-8-14)15-12-16(24-23-15)22-17(26)4-3-11-25-9-1-2-10-25/h5-8,12H,1-4,9-11H2,(H2,22,23,24,26)
InChIKeyGVBGGHWKZBFWPL-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.91
Rot. Bonds6

About 4-pyrrolidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide

4-pyrrolidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide (PubChem CID 59173832) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide
PubChem CID59173832
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC Name4-pyrrolidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide
SMILESO=C(CCCN1CCCC1)Nc1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1
InChIInChI=1S/C18H21F3N4O/c19-18(20,21)14-7-5-13(6-8-14)15-12-16(24-23-15)22-17(26)4-3-11-25-9-1-2-10-25/h5-8,12H,1-4,9-11H2,(H2,22,23,24,26)
InChIKeyGVBGGHWKZBFWPL-UHFFFAOYSA-N
XLogP3.91
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide?
The IUPAC name of 4-pyrrolidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide (CID 59173832) is 4-pyrrolidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide.
What is the SMILES notation for 4-pyrrolidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide?
The canonical SMILES for 4-pyrrolidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide is O=C(CCCN1CCCC1)Nc1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1.
What is the InChIKey of 4-pyrrolidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide?
The InChIKey is GVBGGHWKZBFWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O/c19-18(20,21)14-7-5-13(6-8-14)15-12-16(24-23-15)22-17(26)4-3-11-25-9-1-2-10-25/h5-8,12H,1-4,9-11H2,(H2,22,23,24,26).
What are the key properties of 4-pyrrolidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide?
4-pyrrolidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide has a molecular weight of 366.39 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide is sourced from PubChem (CID 59173832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).