3-(2,4-difluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-5-carboxamide

C20H14F2N4OS — CID 73168678

IUPAC3-(2,4-difluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCc1nc(-c2ccccc2NC(=O)c2cc(-c3ccc(F)cc3F)n[nH]2)cs1
InChIInChI=1S/C20H14F2N4OS/c1-11-23-19(10-28-11)14-4-2-3-5-16(14)24-20(27)18-9-17(25-26-18)13-7-6-12(21)8-15(13)22/h2-10H,1H3,(H,24,27)(H,25,26)
InChIKeyHGLDCHMWCGGTNI-UHFFFAOYSA-N
MW396.42 g/mol
LogP5.04
Rot. Bonds4

About 3-(2,4-difluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-5-carboxamide

3-(2,4-difluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 73168678) has the molecular formula C20H14F2N4OS and a molecular weight of 396.42 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID73168678
Molecular FormulaC20H14F2N4OS
Molecular Weight396.42 g/mol
Exact Mass396.09
IUPAC Name3-(2,4-difluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCc1nc(-c2ccccc2NC(=O)c2cc(-c3ccc(F)cc3F)n[nH]2)cs1
InChIInChI=1S/C20H14F2N4OS/c1-11-23-19(10-28-11)14-4-2-3-5-16(14)24-20(27)18-9-17(25-26-18)13-7-6-12(21)8-15(13)22/h2-10H,1H3,(H,24,27)(H,25,26)
InChIKeyHGLDCHMWCGGTNI-UHFFFAOYSA-N
XLogP5.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.42
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-difluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-5-carboxamide (CID 73168678) is 3-(2,4-difluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-difluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-5-carboxamide is Cc1nc(-c2ccccc2NC(=O)c2cc(-c3ccc(F)cc3F)n[nH]2)cs1.
What is the InChIKey of 3-(2,4-difluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is HGLDCHMWCGGTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4OS/c1-11-23-19(10-28-11)14-4-2-3-5-16(14)24-20(27)18-9-17(25-26-18)13-7-6-12(21)8-15(13)22/h2-10H,1H3,(H,24,27)(H,25,26).
What are the key properties of 3-(2,4-difluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-5-carboxamide?
3-(2,4-difluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 73168678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).