(3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide

C21H20N4OS — CID 97008607

IUPAC(3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCc1nc(CNC(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)cs1
InChIInChI=1S/C21H20N4OS/c1-15-23-17(14-27-15)13-22-21(26)19-12-20(16-8-4-2-5-9-16)25(24-19)18-10-6-3-7-11-18/h2-11,14,20H,12-13H2,1H3,(H,22,26)/t20-/m1/s1
InChIKeyKBSWWZBMGSZIAK-HXUWFJFHSA-N
MW376.49 g/mol
LogP4.08
Rot. Bonds5

About (3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide

(3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 97008607) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is (3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID97008607
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC Name(3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCc1nc(CNC(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)cs1
InChIInChI=1S/C21H20N4OS/c1-15-23-17(14-27-15)13-22-21(26)19-12-20(16-8-4-2-5-9-16)25(24-19)18-10-6-3-7-11-18/h2-11,14,20H,12-13H2,1H3,(H,22,26)/t20-/m1/s1
InChIKeyKBSWWZBMGSZIAK-HXUWFJFHSA-N
XLogP4.08
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide with MolForge

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Related Compounds

(3S)-N-ethoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 36628252
(3R)-2,3-diphenyl-N-(3-pyrazol-1-ylpropyl)-3,4-dihydropyrazole-5-carboxamide
CID 37392411
5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 108737353
(3S)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 25472948
(3S)-N-(1-methylpyrazol-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 36625724
ethyl 4-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)amino]piperidine-1-carboxylate
CID 55561596
N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 56544190
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 94047838
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 51084019
(3R)-2-(3-methylphenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95657064
6-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 66462162
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110717408

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of (3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide (CID 97008607) is (3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for (3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for (3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide is Cc1nc(CNC(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)cs1.
What is the InChIKey of (3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is KBSWWZBMGSZIAK-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-15-23-17(14-27-15)13-22-21(26)19-12-20(16-8-4-2-5-9-16)25(24-19)18-10-6-3-7-11-18/h2-11,14,20H,12-13H2,1H3,(H,22,26)/t20-/m1/s1.
What are the key properties of (3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
(3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 376.49 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 97008607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).