N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C17H13F2N7OS — CID 122638687

IUPACN-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1[nH]ncc1-c1nc(C(=O)Nc2cn(C(F)F)nc2-c2ccccn2)cs1
InChIInChI=1S/C17H13F2N7OS/c1-9-10(6-21-24-9)16-23-13(8-28-16)15(27)22-12-7-26(17(18)19)25-14(12)11-4-2-3-5-20-11/h2-8,17H,1H3,(H,21,24)(H,22,27)
InChIKeyMMZJGZOSDRMTHJ-UHFFFAOYSA-N
MW401.40 g/mol
LogP3.75
Rot. Bonds5

About N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 122638687) has the molecular formula C17H13F2N7OS and a molecular weight of 401.40 g/mol. Its IUPAC name is N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID122638687
Molecular FormulaC17H13F2N7OS
Molecular Weight401.40 g/mol
Exact Mass401.09
IUPAC NameN-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1[nH]ncc1-c1nc(C(=O)Nc2cn(C(F)F)nc2-c2ccccn2)cs1
InChIInChI=1S/C17H13F2N7OS/c1-9-10(6-21-24-9)16-23-13(8-28-16)15(27)22-12-7-26(17(18)19)25-14(12)11-4-2-3-5-20-11/h2-8,17H,1H3,(H,21,24)(H,22,27)
InChIKeyMMZJGZOSDRMTHJ-UHFFFAOYSA-N
XLogP3.75
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-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

Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 122638687) is N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cc1[nH]ncc1-c1nc(C(=O)Nc2cn(C(F)F)nc2-c2ccccn2)cs1.
What is the InChIKey of N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is MMZJGZOSDRMTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N7OS/c1-9-10(6-21-24-9)16-23-13(8-28-16)15(27)22-12-7-26(17(18)19)25-14(12)11-4-2-3-5-20-11/h2-8,17H,1H3,(H,21,24)(H,22,27).
What are the key properties of N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 401.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122638687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).