(3S)-5-N-(5-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

C17H17N5O2 — CID 36623710

IUPAC(3S)-5-N-(5-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCc1ccc(NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)nc1
InChIInChI=1S/C17H17N5O2/c1-11-7-8-15(19-10-11)20-17(24)13-9-14(16(18)23)22(21-13)12-5-3-2-4-6-12/h2-8,10,14H,9H2,1H3,(H2,18,23)(H,19,20,24)/t14-/m0/s1
InChIKeyOKJYISDAKJNCNL-AWEZNQCLSA-N
MW323.36 g/mol
LogP1.45
Rot. Bonds4

About (3S)-5-N-(5-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

(3S)-5-N-(5-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 36623710) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is (3S)-5-N-(5-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name(3S)-5-N-(5-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID36623710
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name(3S)-5-N-(5-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCc1ccc(NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)nc1
InChIInChI=1S/C17H17N5O2/c1-11-7-8-15(19-10-11)20-17(24)13-9-14(16(18)23)22(21-13)12-5-3-2-4-6-12/h2-8,10,14H,9H2,1H3,(H2,18,23)(H,19,20,24)/t14-/m0/s1
InChIKeyOKJYISDAKJNCNL-AWEZNQCLSA-N
XLogP1.45
TPSA100.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-5-N-(5-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide 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)-5-N-(5-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of (3S)-5-N-(5-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (CID 36623710) is (3S)-5-N-(5-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for (3S)-5-N-(5-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for (3S)-5-N-(5-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is Cc1ccc(NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)nc1.
What is the InChIKey of (3S)-5-N-(5-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is OKJYISDAKJNCNL-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-11-7-8-15(19-10-11)20-17(24)13-9-14(16(18)23)22(21-13)12-5-3-2-4-6-12/h2-8,10,14H,9H2,1H3,(H2,18,23)(H,19,20,24)/t14-/m0/s1.
What are the key properties of (3S)-5-N-(5-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
(3S)-5-N-(5-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-N-(5-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 36623710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).