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

C16H15FN4OS — CID 30848783

IUPAC5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1nc(C)c(-c2cc(C(=O)NCc3ccc(F)cc3)n[nH]2)s1
InChIInChI=1S/C16H15FN4OS/c1-9-15(23-10(2)19-9)13-7-14(21-20-13)16(22)18-8-11-3-5-12(17)6-4-11/h3-7H,8H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyHMLWNLPZQYNGPU-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.22
Rot. Bonds4

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

5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 30848783) has the molecular formula C16H15FN4OS and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID30848783
Molecular FormulaC16H15FN4OS
Molecular Weight330.39 g/mol
Exact Mass330.10
IUPAC Name5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1nc(C)c(-c2cc(C(=O)NCc3ccc(F)cc3)n[nH]2)s1
InChIInChI=1S/C16H15FN4OS/c1-9-15(23-10(2)19-9)13-7-14(21-20-13)16(22)18-8-11-3-5-12(17)6-4-11/h3-7H,8H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyHMLWNLPZQYNGPU-UHFFFAOYSA-N
XLogP3.22
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide (CID 30848783) is 5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide is Cc1nc(C)c(-c2cc(C(=O)NCc3ccc(F)cc3)n[nH]2)s1.
What is the InChIKey of 5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is HMLWNLPZQYNGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4OS/c1-9-15(23-10(2)19-9)13-7-14(21-20-13)16(22)18-8-11-3-5-12(17)6-4-11/h3-7H,8H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide?
5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 30848783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).