amino-(4-methyl-5-phenyl-1H-pyrazol-3-yl)carbamic acid

C11H12N4O2 — CID 175320045

IUPACamino-(4-methyl-5-phenyl-1H-pyrazol-3-yl)carbamic acid
SMILESCc1c(N(N)C(=O)O)n[nH]c1-c1ccccc1
InChIInChI=1S/C11H12N4O2/c1-7-9(8-5-3-2-4-6-8)13-14-10(7)15(12)11(16)17/h2-6H,12H2,1H3,(H,13,14)(H,16,17)
InChIKeyYSGIAVGNKRJRPH-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.74
Rot. Bonds2

About amino-(4-methyl-5-phenyl-1H-pyrazol-3-yl)carbamic acid

amino-(4-methyl-5-phenyl-1H-pyrazol-3-yl)carbamic acid (PubChem CID 175320045) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is amino-(4-methyl-5-phenyl-1H-pyrazol-3-yl)carbamic acid.

Molecular Properties

Compound Nameamino-(4-methyl-5-phenyl-1H-pyrazol-3-yl)carbamic acid
PubChem CID175320045
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Nameamino-(4-methyl-5-phenyl-1H-pyrazol-3-yl)carbamic acid
SMILESCc1c(N(N)C(=O)O)n[nH]c1-c1ccccc1
InChIInChI=1S/C11H12N4O2/c1-7-9(8-5-3-2-4-6-8)13-14-10(7)15(12)11(16)17/h2-6H,12H2,1H3,(H,13,14)(H,16,17)
InChIKeyYSGIAVGNKRJRPH-UHFFFAOYSA-N
XLogP1.74
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze amino-(4-methyl-5-phenyl-1H-pyrazol-3-yl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 135450629
CID 135450629
CID 846004
CID 846004
CID 2818946
CID 2818946
CID 2822812
CID 2822812
CID 846003
CID 846003
CID 13835030
CID 13835030
CID 12356180
CID 12356180
CID 118797992
CID 118797992
CID 66876683
CID 66876683
CID 68667292
CID 68667292
CID 87609060
CID 87609060
CID 87609701
CID 87609701

Frequently Asked Questions

What is the IUPAC name of amino-(4-methyl-5-phenyl-1H-pyrazol-3-yl)carbamic acid?
The IUPAC name of amino-(4-methyl-5-phenyl-1H-pyrazol-3-yl)carbamic acid (CID 175320045) is amino-(4-methyl-5-phenyl-1H-pyrazol-3-yl)carbamic acid.
What is the SMILES notation for amino-(4-methyl-5-phenyl-1H-pyrazol-3-yl)carbamic acid?
The canonical SMILES for amino-(4-methyl-5-phenyl-1H-pyrazol-3-yl)carbamic acid is Cc1c(N(N)C(=O)O)n[nH]c1-c1ccccc1.
What is the InChIKey of amino-(4-methyl-5-phenyl-1H-pyrazol-3-yl)carbamic acid?
The InChIKey is YSGIAVGNKRJRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7-9(8-5-3-2-4-6-8)13-14-10(7)15(12)11(16)17/h2-6H,12H2,1H3,(H,13,14)(H,16,17).
What are the key properties of amino-(4-methyl-5-phenyl-1H-pyrazol-3-yl)carbamic acid?
amino-(4-methyl-5-phenyl-1H-pyrazol-3-yl)carbamic acid has a molecular weight of 232.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(4-methyl-5-phenyl-1H-pyrazol-3-yl)carbamic acid is sourced from PubChem (CID 175320045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).