N-(4,5-dihydro-1,3-thiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

C18H15N5OS — CID 4963802

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NC1=NCCS1)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C18H15N5OS/c24-17(21-18-20-9-10-25-18)15-12-23(14-6-2-1-3-7-14)22-16(15)13-5-4-8-19-11-13/h1-8,11-12H,9-10H2,(H,20,21,24)
InChIKeyZBTMIBXUZKISHH-UHFFFAOYSA-N
MW349.42 g/mol
LogP2.77
Rot. Bonds3

About N-(4,5-dihydro-1,3-thiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 4963802) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID4963802
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NC1=NCCS1)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C18H15N5OS/c24-17(21-18-20-9-10-25-18)15-12-23(14-6-2-1-3-7-14)22-16(15)13-5-4-8-19-11-13/h1-8,11-12H,9-10H2,(H,20,21,24)
InChIKeyZBTMIBXUZKISHH-UHFFFAOYSA-N
XLogP2.77
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4,5-dihydro-1,3-thiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-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

N-cyclopentyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9208931
N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9268455
N-(2,3-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8714286
1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
N-[4-(cyclopentylmethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 56533831
N-(2,5-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8712640
N-(4-hydroxycyclohexyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 78767481
N-[2-(dimethylamino)-2-oxoethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9480578
N-[4-(furan-2-carbonylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 42014114
N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide
CID 46657487
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 24599270
N-[(5-chlorothiophen-2-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 32829207

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 4963802) is N-(4,5-dihydro-1,3-thiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is O=C(NC1=NCCS1)c1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is ZBTMIBXUZKISHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c24-17(21-18-20-9-10-25-18)15-12-23(14-6-2-1-3-7-14)22-16(15)13-5-4-8-19-11-13/h1-8,11-12H,9-10H2,(H,20,21,24).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 4963802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).