4-pyrrolidin-1-yl-N-[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide

C18H21F3N4O2 — CID 59173970

IUPAC4-pyrrolidin-1-yl-N-[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide
SMILESO=C(CCCN1CCCC1)Nc1cc(-c2ccccc2OC(F)(F)F)[nH]n1
InChIInChI=1S/C18H21F3N4O2/c19-18(20,21)27-15-7-2-1-6-13(15)14-12-16(24-23-14)22-17(26)8-5-11-25-9-3-4-10-25/h1-2,6-7,12H,3-5,8-11H2,(H2,22,23,24,26)
InChIKeyMOFCSJQJLOZKLW-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.79
Rot. Bonds7

About 4-pyrrolidin-1-yl-N-[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide

4-pyrrolidin-1-yl-N-[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide (PubChem CID 59173970) has the molecular formula C18H21F3N4O2 and a molecular weight of 382.39 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-N-[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-N-[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide
PubChem CID59173970
Molecular FormulaC18H21F3N4O2
Molecular Weight382.39 g/mol
Exact Mass382.16
IUPAC Name4-pyrrolidin-1-yl-N-[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide
SMILESO=C(CCCN1CCCC1)Nc1cc(-c2ccccc2OC(F)(F)F)[nH]n1
InChIInChI=1S/C18H21F3N4O2/c19-18(20,21)27-15-7-2-1-6-13(15)14-12-16(24-23-14)22-17(26)8-5-11-25-9-3-4-10-25/h1-2,6-7,12H,3-5,8-11H2,(H2,22,23,24,26)
InChIKeyMOFCSJQJLOZKLW-UHFFFAOYSA-N
XLogP3.79
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59173991
4-pyrrolidin-1-yl-N-[5-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide
CID 59173864
N-[5-[2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59173977
N-[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59173983
4-pyrrolidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide
CID 59173832
N-[5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59173854
N-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59173834
4-(azetidin-1-yl)-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide
CID 24998675
5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]pentanamide
CID 59173992
N-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59173824
4-piperidin-1-yl-N-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]butanamide
CID 59173772
N-[5-(5-chloro-2-methylphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59173771

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-yl-N-[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide?
The IUPAC name of 4-pyrrolidin-1-yl-N-[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide (CID 59173970) is 4-pyrrolidin-1-yl-N-[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide.
What is the SMILES notation for 4-pyrrolidin-1-yl-N-[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide?
The canonical SMILES for 4-pyrrolidin-1-yl-N-[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide is O=C(CCCN1CCCC1)Nc1cc(-c2ccccc2OC(F)(F)F)[nH]n1.
What is the InChIKey of 4-pyrrolidin-1-yl-N-[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide?
The InChIKey is MOFCSJQJLOZKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O2/c19-18(20,21)27-15-7-2-1-6-13(15)14-12-16(24-23-14)22-17(26)8-5-11-25-9-3-4-10-25/h1-2,6-7,12H,3-5,8-11H2,(H2,22,23,24,26).
What are the key properties of 4-pyrrolidin-1-yl-N-[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide?
4-pyrrolidin-1-yl-N-[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide has a molecular weight of 382.39 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-yl-N-[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide is sourced from PubChem (CID 59173970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).