N-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide

C13H18N4OS — CID 42138549

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)n1
InChIInChI=1S/C13H18N4OS/c1-5-17-7-6-9(16-17)11(18)15-12-14-10(8-19-12)13(2,3)4/h6-8H,5H2,1-4H3,(H,14,15,18)
InChIKeyWNSZUTRQLXLYKF-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.91
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide (PubChem CID 42138549) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide
PubChem CID42138549
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)n1
InChIInChI=1S/C13H18N4OS/c1-5-17-7-6-9(16-17)11(18)15-12-14-10(8-19-12)13(2,3)4/h6-8H,5H2,1-4H3,(H,14,15,18)
InChIKeyWNSZUTRQLXLYKF-UHFFFAOYSA-N
XLogP2.91
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 893021
4-chloro-1-ethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 831979
1-ethyl-N-(5-methylthiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 6464339
4-bromo-1-methyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 903362
1-ethyl-N-(thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 649902
4-bromo-1-ethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 831420
4-bromo-2-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 891968
3-(Thiazol-2-ylcarbamoyl)-pyrazole-1-carboxylic acid sec-butyl ester
CID 646212
2-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 903234
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 25854593
N-(5-methyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide
CID 35522280
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide
CID 35532575

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide (CID 42138549) is N-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is WNSZUTRQLXLYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-5-17-7-6-9(16-17)11(18)15-12-14-10(8-19-12)13(2,3)4/h6-8H,5H2,1-4H3,(H,14,15,18).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 42138549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).