2-(2,4-difluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide

C18H11F2N5OS — CID 177207493

IUPAC2-(2,4-difluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccnn1-c1ccc(F)cc1F
InChIInChI=1S/C18H11F2N5OS/c19-11-4-5-15(12(20)9-11)25-16(6-8-22-25)17(26)24-18-23-14(10-27-18)13-3-1-2-7-21-13/h1-10H,(H,23,24,26)
InChIKeyWZWHNFUBJOHIGQ-UHFFFAOYSA-N
MW383.38 g/mol
LogP3.92
Rot. Bonds4

About 2-(2,4-difluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide

2-(2,4-difluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 177207493) has the molecular formula C18H11F2N5OS and a molecular weight of 383.38 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
PubChem CID177207493
Molecular FormulaC18H11F2N5OS
Molecular Weight383.38 g/mol
Exact Mass383.07
IUPAC Name2-(2,4-difluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccnn1-c1ccc(F)cc1F
InChIInChI=1S/C18H11F2N5OS/c19-11-4-5-15(12(20)9-11)25-16(6-8-22-25)17(26)24-18-23-14(10-27-18)13-3-1-2-7-21-13/h1-10H,(H,23,24,26)
InChIKeyWZWHNFUBJOHIGQ-UHFFFAOYSA-N
XLogP3.92
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide (CID 177207493) is 2-(2,4-difluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide is O=C(Nc1nc(-c2ccccn2)cs1)c1ccnn1-c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is WZWHNFUBJOHIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N5OS/c19-11-4-5-15(12(20)9-11)25-16(6-8-22-25)17(26)24-18-23-14(10-27-18)13-3-1-2-7-21-13/h1-10H,(H,23,24,26).
What are the key properties of 2-(2,4-difluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
2-(2,4-difluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 383.38 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 177207493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).