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

C13H16N4O2S — CID 122568970

IUPAC3-acetyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCCc1nc(C)c(CNC(=O)c2cc(C(C)=O)n[nH]2)s1
InChIInChI=1S/C13H16N4O2S/c1-4-12-15-7(2)11(20-12)6-14-13(19)10-5-9(8(3)18)16-17-10/h5H,4,6H2,1-3H3,(H,14,19)(H,16,17)
InChIKeyCQRHCIVOOSBJKR-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.87
Rot. Bonds5

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

3-acetyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 122568970) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-acetyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID122568970
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name3-acetyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCCc1nc(C)c(CNC(=O)c2cc(C(C)=O)n[nH]2)s1
InChIInChI=1S/C13H16N4O2S/c1-4-12-15-7(2)11(20-12)6-14-13(19)10-5-9(8(3)18)16-17-10/h5H,4,6H2,1-3H3,(H,14,19)(H,16,17)
InChIKeyCQRHCIVOOSBJKR-UHFFFAOYSA-N
XLogP1.87
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-acetyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide (CID 122568970) is 3-acetyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-acetyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-acetyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide is CCc1nc(C)c(CNC(=O)c2cc(C(C)=O)n[nH]2)s1.
What is the InChIKey of 3-acetyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is CQRHCIVOOSBJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-4-12-15-7(2)11(20-12)6-14-13(19)10-5-9(8(3)18)16-17-10/h5H,4,6H2,1-3H3,(H,14,19)(H,16,17).
What are the key properties of 3-acetyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide?
3-acetyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 122568970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).