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

C10H12N4OS — CID 6464339

IUPAC1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2ncc(C)s2)n1
InChIInChI=1S/C10H12N4OS/c1-3-14-5-4-8(13-14)9(15)12-10-11-6-7(2)16-10/h4-6H,3H2,1-2H3,(H,11,12,15)
InChIKeyJTBXHLJHCCTQGD-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.92
Rot. Bonds3

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

1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 6464339) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
PubChem CID6464339
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2ncc(C)s2)n1
InChIInChI=1S/C10H12N4OS/c1-3-14-5-4-8(13-14)9(15)12-10-11-6-7(2)16-10/h4-6H,3H2,1-2H3,(H,11,12,15)
InChIKeyJTBXHLJHCCTQGD-UHFFFAOYSA-N
XLogP1.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide (CID 6464339) is 1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2ncc(C)s2)n1.
What is the InChIKey of 1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is JTBXHLJHCCTQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-3-14-5-4-8(13-14)9(15)12-10-11-6-7(2)16-10/h4-6H,3H2,1-2H3,(H,11,12,15).
What are the key properties of 1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 6464339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).