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

C11H13N5O — CID 151938609

IUPAC5-amino-4-methyl-1-phenylpyrazole-3-carbohydrazide
SMILESCc1c(C(=O)NN)nn(-c2ccccc2)c1N
InChIInChI=1S/C11H13N5O/c1-7-9(11(17)14-13)15-16(10(7)12)8-5-3-2-4-6-8/h2-6H,12-13H2,1H3,(H,14,17)
InChIKeyTUEIASUYRQARNR-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.37
Rot. Bonds2

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

5-amino-4-methyl-1-phenylpyrazole-3-carbohydrazide (PubChem CID 151938609) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 5-amino-4-methyl-1-phenylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name5-amino-4-methyl-1-phenylpyrazole-3-carbohydrazide
PubChem CID151938609
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name5-amino-4-methyl-1-phenylpyrazole-3-carbohydrazide
SMILESCc1c(C(=O)NN)nn(-c2ccccc2)c1N
InChIInChI=1S/C11H13N5O/c1-7-9(11(17)14-13)15-16(10(7)12)8-5-3-2-4-6-8/h2-6H,12-13H2,1H3,(H,14,17)
InChIKeyTUEIASUYRQARNR-UHFFFAOYSA-N
XLogP0.37
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

5-amino-N',4-dimethyl-N'-(2-methylpropyl)-1-phenylpyrazole-3-carbohydrazide
CID 174908208
5-methyl-2-phenyltriazole-4-carbohydrazide
CID 2774345
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
(5-amino-4-methyl-1-phenylpyrazol-3-yl) carbamate
CID 174915893
5-amino-3-N,1-diphenylpyrazole-3,4-dicarboxamide
CID 163894427
4-(5-amino-4-methyl-1-phenylpyrazol-3-yl)benzoic acid
CID 145013429
4-methyl-1,3-diphenylpyrazol-5-amine
CID 43336769
2-(5-amino-4-methyl-1-phenylpyrazol-3-yl)-2-methylpropan-1-ol
CID 71015486
5-amino-4-methyl-1-quinolin-2-ylpyrazole-3-carboxylic acid
CID 82590054
methyl 5-amino-3-methylsulfonyl-1-phenylpyrazole-4-carboxylate
CID 134094759
6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine-3-carbohydrazide
CID 139218942
4-amino-3-methyl-1-phenylpyrazole-5-carboxylic acid
CID 82393477

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-1-phenylpyrazole-3-carbohydrazide?
The IUPAC name of 5-amino-4-methyl-1-phenylpyrazole-3-carbohydrazide (CID 151938609) is 5-amino-4-methyl-1-phenylpyrazole-3-carbohydrazide.
What is the SMILES notation for 5-amino-4-methyl-1-phenylpyrazole-3-carbohydrazide?
The canonical SMILES for 5-amino-4-methyl-1-phenylpyrazole-3-carbohydrazide is Cc1c(C(=O)NN)nn(-c2ccccc2)c1N.
What is the InChIKey of 5-amino-4-methyl-1-phenylpyrazole-3-carbohydrazide?
The InChIKey is TUEIASUYRQARNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-7-9(11(17)14-13)15-16(10(7)12)8-5-3-2-4-6-8/h2-6H,12-13H2,1H3,(H,14,17).
What are the key properties of 5-amino-4-methyl-1-phenylpyrazole-3-carbohydrazide?
5-amino-4-methyl-1-phenylpyrazole-3-carbohydrazide has a molecular weight of 231.26 g/mol, XLogP of 0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-1-phenylpyrazole-3-carbohydrazide is sourced from PubChem (CID 151938609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).