5-amino-3-methyl-1-phenylpyrazole-4-carboxamide

C11H12N4O — CID 15836765

IUPAC5-amino-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(N)c1C(N)=O
InChIInChI=1S/C11H12N4O/c1-7-9(11(13)16)10(12)15(14-7)8-5-3-2-4-6-8/h2-6H,12H2,1H3,(H2,13,16)
InChIKeyMUCXQQXKBTVCRB-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.86
Rot. Bonds2

About 5-amino-3-methyl-1-phenylpyrazole-4-carboxamide

5-amino-3-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 15836765) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-amino-3-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID15836765
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name5-amino-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(N)c1C(N)=O
InChIInChI=1S/C11H12N4O/c1-7-9(11(13)16)10(12)15(14-7)8-5-3-2-4-6-8/h2-6H,12H2,1H3,(H2,13,16)
InChIKeyMUCXQQXKBTVCRB-UHFFFAOYSA-N
XLogP0.86
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-methyl-1-phenylpyrazole-4-carboxamide (CID 15836765) is 5-amino-3-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-methyl-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(N)c1C(N)=O.
What is the InChIKey of 5-amino-3-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is MUCXQQXKBTVCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-7-9(11(13)16)10(12)15(14-7)8-5-3-2-4-6-8/h2-6H,12H2,1H3,(H2,13,16).
What are the key properties of 5-amino-3-methyl-1-phenylpyrazole-4-carboxamide?
5-amino-3-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 15836765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).