(2S)-1-[4-cyclopropyl-3-(2-methylpyrazol-3-yl)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide

C19H20F2N4O2 — CID 129216516

IUPAC(2S)-1-[4-cyclopropyl-3-(2-methylpyrazol-3-yl)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide
SMILESCn1nccc1-c1cc(C(=O)N2CC(F)(F)C[C@H]2C(N)=O)ccc1C1CC1
InChIInChI=1S/C19H20F2N4O2/c1-24-15(6-7-23-24)14-8-12(4-5-13(14)11-2-3-11)18(27)25-10-19(20,21)9-16(25)17(22)26/h4-8,11,16H,2-3,9-10H2,1H3,(H2,22,26)/t16-/m0/s1
InChIKeyDFMQBACBHUKHDA-INIZCTEOSA-N
MW374.39 g/mol
LogP2.30
Rot. Bonds4

About (2S)-1-[4-cyclopropyl-3-(2-methylpyrazol-3-yl)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide

(2S)-1-[4-cyclopropyl-3-(2-methylpyrazol-3-yl)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide (PubChem CID 129216516) has the molecular formula C19H20F2N4O2 and a molecular weight of 374.39 g/mol. Its IUPAC name is (2S)-1-[4-cyclopropyl-3-(2-methylpyrazol-3-yl)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[4-cyclopropyl-3-(2-methylpyrazol-3-yl)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide
PubChem CID129216516
Molecular FormulaC19H20F2N4O2
Molecular Weight374.39 g/mol
Exact Mass374.16
IUPAC Name(2S)-1-[4-cyclopropyl-3-(2-methylpyrazol-3-yl)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide
SMILESCn1nccc1-c1cc(C(=O)N2CC(F)(F)C[C@H]2C(N)=O)ccc1C1CC1
InChIInChI=1S/C19H20F2N4O2/c1-24-15(6-7-23-24)14-8-12(4-5-13(14)11-2-3-11)18(27)25-10-19(20,21)9-16(25)17(22)26/h4-8,11,16H,2-3,9-10H2,1H3,(H2,22,26)/t16-/m0/s1
InChIKeyDFMQBACBHUKHDA-INIZCTEOSA-N
XLogP2.30
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[4-cyclopropyl-3-(2-methylpyrazol-3-yl)benzoyl]-4,4-difluoropyrrolidine-2-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 (2S)-1-[4-cyclopropyl-3-(2-methylpyrazol-3-yl)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[4-cyclopropyl-3-(2-methylpyrazol-3-yl)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide (CID 129216516) is (2S)-1-[4-cyclopropyl-3-(2-methylpyrazol-3-yl)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[4-cyclopropyl-3-(2-methylpyrazol-3-yl)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[4-cyclopropyl-3-(2-methylpyrazol-3-yl)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide is Cn1nccc1-c1cc(C(=O)N2CC(F)(F)C[C@H]2C(N)=O)ccc1C1CC1.
What is the InChIKey of (2S)-1-[4-cyclopropyl-3-(2-methylpyrazol-3-yl)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide?
The InChIKey is DFMQBACBHUKHDA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20F2N4O2/c1-24-15(6-7-23-24)14-8-12(4-5-13(14)11-2-3-11)18(27)25-10-19(20,21)9-16(25)17(22)26/h4-8,11,16H,2-3,9-10H2,1H3,(H2,22,26)/t16-/m0/s1.
What are the key properties of (2S)-1-[4-cyclopropyl-3-(2-methylpyrazol-3-yl)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide?
(2S)-1-[4-cyclopropyl-3-(2-methylpyrazol-3-yl)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide has a molecular weight of 374.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-cyclopropyl-3-(2-methylpyrazol-3-yl)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 129216516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).