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

C11H15N5OS — CID 66123358

IUPAC4-amino-3-ethyl-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)Nc2nc(C)cs2)c1N
InChIInChI=1S/C11H15N5OS/c1-4-7-8(12)9(16(3)15-7)10(17)14-11-13-6(2)5-18-11/h5H,4,12H2,1-3H3,(H,13,14,17)
InChIKeyZJPBMFHUUXPXNJ-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.58
Rot. Bonds3

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

4-amino-3-ethyl-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide (PubChem CID 66123358) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-amino-3-ethyl-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
PubChem CID66123358
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name4-amino-3-ethyl-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)Nc2nc(C)cs2)c1N
InChIInChI=1S/C11H15N5OS/c1-4-7-8(12)9(16(3)15-7)10(17)14-11-13-6(2)5-18-11/h5H,4,12H2,1-3H3,(H,13,14,17)
InChIKeyZJPBMFHUUXPXNJ-UHFFFAOYSA-N
XLogP1.58
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide (CID 66123358) is 4-amino-3-ethyl-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide is CCc1nn(C)c(C(=O)Nc2nc(C)cs2)c1N.
What is the InChIKey of 4-amino-3-ethyl-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The InChIKey is ZJPBMFHUUXPXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-4-7-8(12)9(16(3)15-7)10(17)14-11-13-6(2)5-18-11/h5H,4,12H2,1-3H3,(H,13,14,17).
What are the key properties of 4-amino-3-ethyl-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
4-amino-3-ethyl-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 66123358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).