(3R)-2-phenyl-5-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3,4-dihydropyrazole-3,5-dicarboxamide

C17H20N6O2 — CID 38616647

IUPAC(3R)-2-phenyl-5-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESC[C@@H](Cn1cccn1)NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1
InChIInChI=1S/C17H20N6O2/c1-12(11-22-9-5-8-19-22)20-17(25)14-10-15(16(18)24)23(21-14)13-6-3-2-4-7-13/h2-9,12,15H,10-11H2,1H3,(H2,18,24)(H,20,25)/t12-,15+/m0/s1
InChIKeyBQLYCQKNINTIOS-SWLSCSKDSA-N
MW340.39 g/mol
LogP0.51
Rot. Bonds6

About (3R)-2-phenyl-5-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3,4-dihydropyrazole-3,5-dicarboxamide

(3R)-2-phenyl-5-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 38616647) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is (3R)-2-phenyl-5-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name(3R)-2-phenyl-5-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID38616647
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name(3R)-2-phenyl-5-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESC[C@@H](Cn1cccn1)NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1
InChIInChI=1S/C17H20N6O2/c1-12(11-22-9-5-8-19-22)20-17(25)14-10-15(16(18)24)23(21-14)13-6-3-2-4-7-13/h2-9,12,15H,10-11H2,1H3,(H2,18,24)(H,20,25)/t12-,15+/m0/s1
InChIKeyBQLYCQKNINTIOS-SWLSCSKDSA-N
XLogP0.51
TPSA105.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-2-phenyl-5-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-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

Related Compounds

(3R)-2-phenyl-5-N-[(1S)-1-pyridin-2-ylethyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36629565
(3S)-5-N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 52509242
methyl (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 95597362
2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
CID 60940603
(3S)-5-N-(5-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36623710
5-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 134022863
methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-3-(4-methoxyphenyl)propanoate
CID 55565942
(3R)-5-N-(furan-3-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 94066190
(3S)-5-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 37287052
(5R)-5-methyl-6-oxo-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 94663985
(3S)-5-N-[2-(methylcarbamoyl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999608
(3S)-5-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 94562873

Frequently Asked Questions

What is the IUPAC name of (3R)-2-phenyl-5-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of (3R)-2-phenyl-5-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3,4-dihydropyrazole-3,5-dicarboxamide (CID 38616647) is (3R)-2-phenyl-5-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for (3R)-2-phenyl-5-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for (3R)-2-phenyl-5-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3,4-dihydropyrazole-3,5-dicarboxamide is C[C@@H](Cn1cccn1)NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1.
What is the InChIKey of (3R)-2-phenyl-5-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is BQLYCQKNINTIOS-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-12(11-22-9-5-8-19-22)20-17(25)14-10-15(16(18)24)23(21-14)13-6-3-2-4-7-13/h2-9,12,15H,10-11H2,1H3,(H2,18,24)(H,20,25)/t12-,15+/m0/s1.
What are the key properties of (3R)-2-phenyl-5-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3,4-dihydropyrazole-3,5-dicarboxamide?
(3R)-2-phenyl-5-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 340.39 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-phenyl-5-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 38616647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).