N-acetyl-5-amino-1-phenylpyrazole-4-carboxamide

C12H12N4O2 — CID 2822832

IUPACN-acetyl-5-amino-1-phenylpyrazole-4-carboxamide
SMILESCC(=O)NC(=O)c1cnn(-c2ccccc2)c1N
InChIInChI=1S/C12H12N4O2/c1-8(17)15-12(18)10-7-14-16(11(10)13)9-5-3-2-4-6-9/h2-7H,13H2,1H3,(H,15,17,18)
InChIKeyPAWHJYQBQDUOFV-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.73
Rot. Bonds2

About N-acetyl-5-amino-1-phenylpyrazole-4-carboxamide

N-acetyl-5-amino-1-phenylpyrazole-4-carboxamide (PubChem CID 2822832) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-acetyl-5-amino-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-acetyl-5-amino-1-phenylpyrazole-4-carboxamide
PubChem CID2822832
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC NameN-acetyl-5-amino-1-phenylpyrazole-4-carboxamide
SMILESCC(=O)NC(=O)c1cnn(-c2ccccc2)c1N
InChIInChI=1S/C12H12N4O2/c1-8(17)15-12(18)10-7-14-16(11(10)13)9-5-3-2-4-6-9/h2-7H,13H2,1H3,(H,15,17,18)
InChIKeyPAWHJYQBQDUOFV-UHFFFAOYSA-N
XLogP0.73
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-5-amino-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-acetyl-5-amino-1-phenylpyrazole-4-carboxamide (CID 2822832) is N-acetyl-5-amino-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-acetyl-5-amino-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-acetyl-5-amino-1-phenylpyrazole-4-carboxamide is CC(=O)NC(=O)c1cnn(-c2ccccc2)c1N.
What is the InChIKey of N-acetyl-5-amino-1-phenylpyrazole-4-carboxamide?
The InChIKey is PAWHJYQBQDUOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-8(17)15-12(18)10-7-14-16(11(10)13)9-5-3-2-4-6-9/h2-7H,13H2,1H3,(H,15,17,18).
What are the key properties of N-acetyl-5-amino-1-phenylpyrazole-4-carboxamide?
N-acetyl-5-amino-1-phenylpyrazole-4-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-5-amino-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 2822832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).