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

C12H16N4OS — CID 54954113

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCCc1nc(NC(=O)c2c(C)n[nH]c2C)sc1C
InChIInChI=1S/C12H16N4OS/c1-5-9-8(4)18-12(13-9)14-11(17)10-6(2)15-16-7(10)3/h5H2,1-4H3,(H,15,16)(H,13,14,17)
InChIKeyCVJSJPCDVLZFMA-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.61
Rot. Bonds3

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

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 54954113) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID54954113
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCCc1nc(NC(=O)c2c(C)n[nH]c2C)sc1C
InChIInChI=1S/C12H16N4OS/c1-5-9-8(4)18-12(13-9)14-11(17)10-6(2)15-16-7(10)3/h5H2,1-4H3,(H,15,16)(H,13,14,17)
InChIKeyCVJSJPCDVLZFMA-UHFFFAOYSA-N
XLogP2.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 54954113) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is CCc1nc(NC(=O)c2c(C)n[nH]c2C)sc1C.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is CVJSJPCDVLZFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-5-9-8(4)18-12(13-9)14-11(17)10-6(2)15-16-7(10)3/h5H2,1-4H3,(H,15,16)(H,13,14,17).
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 54954113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).