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

C15H13FN4OS — CID 19514673

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCc1nc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)sc1C
InChIInChI=1S/C15H13FN4OS/c1-8-9(2)22-15(17-8)18-14(21)13-7-12(19-20-13)10-3-5-11(16)6-4-10/h3-7H,1-2H3,(H,19,20)(H,17,18,21)
InChIKeyLPGDPNKCVRUOGY-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.54
Rot. Bonds3

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19514673) has the molecular formula C15H13FN4OS and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID19514673
Molecular FormulaC15H13FN4OS
Molecular Weight316.36 g/mol
Exact Mass316.08
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCc1nc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)sc1C
InChIInChI=1S/C15H13FN4OS/c1-8-9(2)22-15(17-8)18-14(21)13-7-12(19-20-13)10-3-5-11(16)6-4-10/h3-7H,1-2H3,(H,19,20)(H,17,18,21)
InChIKeyLPGDPNKCVRUOGY-UHFFFAOYSA-N
XLogP3.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 19514673) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is Cc1nc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is LPGDPNKCVRUOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4OS/c1-8-9(2)22-15(17-8)18-14(21)13-7-12(19-20-13)10-3-5-11(16)6-4-10/h3-7H,1-2H3,(H,19,20)(H,17,18,21).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19514673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).