(2R)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide

C16H16ClN5O — CID 35535310

IUPAC(2R)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
SMILESC[C@H](Cn1cc(Cl)cn1)C(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H16ClN5O/c1-12(10-21-11-13(17)9-19-21)16(23)20-14-3-5-15(6-4-14)22-8-2-7-18-22/h2-9,11-12H,10H2,1H3,(H,20,23)/t12-/m1/s1
InChIKeyPJTXQVARRPWZFD-GFCCVEGCSA-N
MW329.79 g/mol
LogP3.00
Rot. Bonds5

About (2R)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide

(2R)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide (PubChem CID 35535310) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is (2R)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
PubChem CID35535310
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name(2R)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
SMILESC[C@H](Cn1cc(Cl)cn1)C(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H16ClN5O/c1-12(10-21-11-13(17)9-19-21)16(23)20-14-3-5-15(6-4-14)22-8-2-7-18-22/h2-9,11-12H,10H2,1H3,(H,20,23)/t12-/m1/s1
InChIKeyPJTXQVARRPWZFD-GFCCVEGCSA-N
XLogP3.00
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide 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

3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62726808
3-(4-chloropyrazol-1-yl)-N-[4-(diethylamino)phenyl]-2-methylpropanamide
CID 19570296
3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62671376
2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride
CID 119702362
2-chloro-N-(4-pyrazol-1-ylphenyl)propanamide
CID 43697897
(2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide
CID 78971911
(2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 61180755
3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
CID 75358524
3-(4-chloropyrazol-1-yl)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 19570318
3-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-2-methylpropanamide
CID 19570569
2-(3,5-dichlorophenyl)-2-hydroxy-N-(4-pyrazol-1-ylphenyl)acetamide
CID 167744959
3-(4-chloropyrazol-1-yl)-N-cyclopropyl-2-methylpropanamide
CID 19570325

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide?
The IUPAC name of (2R)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide (CID 35535310) is (2R)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide.
What is the SMILES notation for (2R)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide?
The canonical SMILES for (2R)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide is C[C@H](Cn1cc(Cl)cn1)C(=O)Nc1ccc(-n2cccn2)cc1.
What is the InChIKey of (2R)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide?
The InChIKey is PJTXQVARRPWZFD-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-12(10-21-11-13(17)9-19-21)16(23)20-14-3-5-15(6-4-14)22-8-2-7-18-22/h2-9,11-12H,10H2,1H3,(H,20,23)/t12-/m1/s1.
What are the key properties of (2R)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide?
(2R)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide has a molecular weight of 329.79 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide is sourced from PubChem (CID 35535310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).