4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide

C20H21N5O2S — CID 71288662

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C20H21N5O2S/c1-24-17(16(12-22-24)20(27)25-10-5-11-25)18(26)21-9-8-15-13-28-19(23-15)14-6-3-2-4-7-14/h2-4,6-7,12-13H,5,8-11H2,1H3,(H,21,26)
InChIKeyANXGOOCOVVQHFD-UHFFFAOYSA-N
MW395.49 g/mol
LogP2.36
Rot. Bonds6

About 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 71288662) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide
PubChem CID71288662
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C20H21N5O2S/c1-24-17(16(12-22-24)20(27)25-10-5-11-25)18(26)21-9-8-15-13-28-19(23-15)14-6-3-2-4-7-14/h2-4,6-7,12-13H,5,8-11H2,1H3,(H,21,26)
InChIKeyANXGOOCOVVQHFD-UHFFFAOYSA-N
XLogP2.36
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide 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

5-amino-N-[5-(4-amino-5-fluorocycloheptyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 123616291
4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxamide
CID 165414909
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyrazole-5-carboxamide
CID 71505323
N-benzyl-2-(1-benzyl-1H-1,2,3-triazol-4-yl)-4-methylthiazole-5-carboxamide
CID 24962977
US9617282, Example 95
CID 118641364
5-amino-N-(5-(4-aminocyclohexyl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide
CID 58464763
5-amino-N-(5-((4R,5R)-4-amino-5-fluorocycloheptyl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide
CID 74983213
5-amino-N-[5-[(4R,5S)-4-amino-5-fluorocycloheptyl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 74983223
4-(azetidine-1-carbonyl)-1-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxamide
CID 165415252
N-Ethyl-5-[4-methyl-2-(3-pyridinyl)-5-thiazolyl]-1H-pyrazole-3-carboxamide
CID 46889160
N-ethyl-5-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide
CID 46889199
5-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-1H-pyrazole-3-carboxamide
CID 46889216

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide (CID 71288662) is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1csc(-c2ccccc2)n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is ANXGOOCOVVQHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-24-17(16(12-22-24)20(27)25-10-5-11-25)18(26)21-9-8-15-13-28-19(23-15)14-6-3-2-4-7-14/h2-4,6-7,12-13H,5,8-11H2,1H3,(H,21,26).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 71288662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).