(3S)-5-oxo-N-[5-(3-propylphenyl)-1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide

C18H19F3N4O2 — CID 90656984

IUPAC(3S)-5-oxo-N-[5-(3-propylphenyl)-1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2C(F)(F)F)c1
InChIInChI=1S/C18H19F3N4O2/c1-2-4-11-5-3-6-12(7-11)14-9-15(24-25(14)18(19,20)21)23-17(27)13-8-16(26)22-10-13/h3,5-7,9,13H,2,4,8,10H2,1H3,(H,22,26)(H,23,24,27)/t13-/m0/s1
InChIKeySVUBLYCTTBTAMX-ZDUSSCGKSA-N
MW380.37 g/mol
LogP3.05
Rot. Bonds5

About (3S)-5-oxo-N-[5-(3-propylphenyl)-1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide

(3S)-5-oxo-N-[5-(3-propylphenyl)-1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide (PubChem CID 90656984) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is (3S)-5-oxo-N-[5-(3-propylphenyl)-1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-5-oxo-N-[5-(3-propylphenyl)-1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
PubChem CID90656984
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name(3S)-5-oxo-N-[5-(3-propylphenyl)-1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2C(F)(F)F)c1
InChIInChI=1S/C18H19F3N4O2/c1-2-4-11-5-3-6-12(7-11)14-9-15(24-25(14)18(19,20)21)23-17(27)13-8-16(26)22-10-13/h3,5-7,9,13H,2,4,8,10H2,1H3,(H,22,26)(H,23,24,27)/t13-/m0/s1
InChIKeySVUBLYCTTBTAMX-ZDUSSCGKSA-N
XLogP3.05
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-oxo-N-[5-(3-propylphenyl)-1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-5-oxo-N-[5-(3-propylphenyl)-1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide (CID 90656984) is (3S)-5-oxo-N-[5-(3-propylphenyl)-1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-5-oxo-N-[5-(3-propylphenyl)-1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-5-oxo-N-[5-(3-propylphenyl)-1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide is CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2C(F)(F)F)c1.
What is the InChIKey of (3S)-5-oxo-N-[5-(3-propylphenyl)-1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is SVUBLYCTTBTAMX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-2-4-11-5-3-6-12(7-11)14-9-15(24-25(14)18(19,20)21)23-17(27)13-8-16(26)22-10-13/h3,5-7,9,13H,2,4,8,10H2,1H3,(H,22,26)(H,23,24,27)/t13-/m0/s1.
What are the key properties of (3S)-5-oxo-N-[5-(3-propylphenyl)-1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
(3S)-5-oxo-N-[5-(3-propylphenyl)-1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-oxo-N-[5-(3-propylphenyl)-1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 90656984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).