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

C18H21F3N4O2 — CID 59173864

IUPAC4-pyrrolidin-1-yl-N-[5-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide
SMILESO=C(CCCN1CCCC1)Nc1cc(-c2cccc(OC(F)(F)F)c2)[nH]n1
InChIInChI=1S/C18H21F3N4O2/c19-18(20,21)27-14-6-3-5-13(11-14)15-12-16(24-23-15)22-17(26)7-4-10-25-8-1-2-9-25/h3,5-6,11-12H,1-2,4,7-10H2,(H2,22,23,24,26)
InChIKeyLIOQOEYZKYMGSI-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.79
Rot. Bonds7

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

4-pyrrolidin-1-yl-N-[5-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide (PubChem CID 59173864) has the molecular formula C18H21F3N4O2 and a molecular weight of 382.39 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-N-[5-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-N-[5-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide
PubChem CID59173864
Molecular FormulaC18H21F3N4O2
Molecular Weight382.39 g/mol
Exact Mass382.16
IUPAC Name4-pyrrolidin-1-yl-N-[5-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide
SMILESO=C(CCCN1CCCC1)Nc1cc(-c2cccc(OC(F)(F)F)c2)[nH]n1
InChIInChI=1S/C18H21F3N4O2/c19-18(20,21)27-14-6-3-5-13(11-14)15-12-16(24-23-15)22-17(26)7-4-10-25-8-1-2-9-25/h3,5-6,11-12H,1-2,4,7-10H2,(H2,22,23,24,26)
InChIKeyLIOQOEYZKYMGSI-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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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-yl-N-[5-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide?
The IUPAC name of 4-pyrrolidin-1-yl-N-[5-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide (CID 59173864) is 4-pyrrolidin-1-yl-N-[5-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide.
What is the SMILES notation for 4-pyrrolidin-1-yl-N-[5-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide?
The canonical SMILES for 4-pyrrolidin-1-yl-N-[5-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide is O=C(CCCN1CCCC1)Nc1cc(-c2cccc(OC(F)(F)F)c2)[nH]n1.
What is the InChIKey of 4-pyrrolidin-1-yl-N-[5-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide?
The InChIKey is LIOQOEYZKYMGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O2/c19-18(20,21)27-14-6-3-5-13(11-14)15-12-16(24-23-15)22-17(26)7-4-10-25-8-1-2-9-25/h3,5-6,11-12H,1-2,4,7-10H2,(H2,22,23,24,26).
What are the key properties of 4-pyrrolidin-1-yl-N-[5-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide?
4-pyrrolidin-1-yl-N-[5-[3-(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-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide is sourced from PubChem (CID 59173864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).