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'}

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Related Compounds

3-(dimethylamino)-5-phenyl-1H-pyrazole-4-carboxamide
CID 71031561
2-(3-amino-5-phenyl-1H-pyrazol-4-yl)-N,N-dimethylacetamide
CID 99992864
but-2-enedioic acid;N,N-dimethyl-3-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine
CID 3070798
6-methyl-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 162637073
N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)-4-phenylpyrimidine-2-carboxamide
CID 166432284
N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)-1H-indole-2-carboxamide
CID 166403574
5-phenyl-1H-pyrazole-3,4-diamine
CID 12887461
3-amino-5-phenyl-1H-pyrazole-4-carbaldehyde
CID 15687152
ethane;ethyl 4-methyl-3-phenyl-1H-pyrazole-5-carboxylate
CID 171093697
N-(3,5-diphenyl-1H-pyrazol-4-yl)propanamide
CID 42687176
3-cyano-5-fluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)benzamide
CID 156583771
N-(5-methyl-1H-pyrazol-3-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 63819414

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).