(3S,4S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-4-methylpyrrolidine-3-carboxamide

C16H18F2N4O — CID 154745401

IUPAC(3S,4S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-4-methylpyrrolidine-3-carboxamide
SMILESC[C@@H]1CN(Cc2ccn(-c3ccc(F)cc3F)n2)C[C@H]1C(N)=O
InChIInChI=1S/C16H18F2N4O/c1-10-7-21(9-13(10)16(19)23)8-12-4-5-22(20-12)15-3-2-11(17)6-14(15)18/h2-6,10,13H,7-9H2,1H3,(H2,19,23)/t10-,13-/m1/s1
InChIKeyZVRNGJPQSUHKCJ-ZWNOBZJWSA-N
MW320.34 g/mol
LogP1.70
Rot. Bonds4

About (3S,4S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-4-methylpyrrolidine-3-carboxamide

(3S,4S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 154745401) has the molecular formula C16H18F2N4O and a molecular weight of 320.34 g/mol. Its IUPAC name is (3S,4S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-4-methylpyrrolidine-3-carboxamide
PubChem CID154745401
Molecular FormulaC16H18F2N4O
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name(3S,4S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-4-methylpyrrolidine-3-carboxamide
SMILESC[C@@H]1CN(Cc2ccn(-c3ccc(F)cc3F)n2)C[C@H]1C(N)=O
InChIInChI=1S/C16H18F2N4O/c1-10-7-21(9-13(10)16(19)23)8-12-4-5-22(20-12)15-3-2-11(17)6-14(15)18/h2-6,10,13H,7-9H2,1H3,(H2,19,23)/t10-,13-/m1/s1
InChIKeyZVRNGJPQSUHKCJ-ZWNOBZJWSA-N
XLogP1.70
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-4-methylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-4-methylpyrrolidine-3-carboxamide (CID 154745401) is (3S,4S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-4-methylpyrrolidine-3-carboxamide is C[C@@H]1CN(Cc2ccn(-c3ccc(F)cc3F)n2)C[C@H]1C(N)=O.
What is the InChIKey of (3S,4S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is ZVRNGJPQSUHKCJ-ZWNOBZJWSA-N. The full InChI is InChI=1S/C16H18F2N4O/c1-10-7-21(9-13(10)16(19)23)8-12-4-5-22(20-12)15-3-2-11(17)6-14(15)18/h2-6,10,13H,7-9H2,1H3,(H2,19,23)/t10-,13-/m1/s1.
What are the key properties of (3S,4S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-4-methylpyrrolidine-3-carboxamide?
(3S,4S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 320.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 154745401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).