5-amino-1-benzylpyrazole-4-carbohydrazide

C11H13N5O — CID 781738

IUPAC5-amino-1-benzylpyrazole-4-carbohydrazide
SMILESNNC(=O)c1cnn(Cc2ccccc2)c1N
InChIInChI=1S/C11H13N5O/c12-10-9(11(17)15-13)6-14-16(10)7-8-4-2-1-3-5-8/h1-6H,7,12-13H2,(H,15,17)
InChIKeyQQRCQUWTDHLMKH-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.12
Rot. Bonds3

About 5-amino-1-benzylpyrazole-4-carbohydrazide

5-amino-1-benzylpyrazole-4-carbohydrazide (PubChem CID 781738) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 5-amino-1-benzylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-amino-1-benzylpyrazole-4-carbohydrazide
PubChem CID781738
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name5-amino-1-benzylpyrazole-4-carbohydrazide
SMILESNNC(=O)c1cnn(Cc2ccccc2)c1N
InChIInChI=1S/C11H13N5O/c12-10-9(11(17)15-13)6-14-16(10)7-8-4-2-1-3-5-8/h1-6H,7,12-13H2,(H,15,17)
InChIKeyQQRCQUWTDHLMKH-UHFFFAOYSA-N
XLogP0.12
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.12
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

6-Benzyl-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
CID 135566500
5-Amino-1-phenyl-4-pyrazolecarboxamide
CID 1802
7-phenyl-3H,4H,7H-pyrazolo[3,4-d][1,2,3]triazin-4-one
CID 135423160
4-[(3-amino-4-bromo-1H-pyrazol-1-yl)methyl]benzohydrazide
CID 919980
5-amino-1-phenyl-N'-(phenylmethylene)-1H-pyrazole-4-carbohydrazide
CID 9583770
5-(benzylideneamino)-1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 9564675
5-(benzylideneamino)-2-methyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 9564676
2-Benzyl-4-methyl-2H-pyrazol-3-ylamine
CID 649067
ethyl 5-amino-1-benzyl-1H-pyrazole-4-carboxylate
CID 785810
1-Benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 135431262
5-amino-1-phenyl-1H-pyrazole-4-carbohydrazide
CID 353959
trans-6-(1-benzyl-4-methylpyrrolidin-3-yl)-1-isobutyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135860085

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-benzylpyrazole-4-carbohydrazide?
The IUPAC name of 5-amino-1-benzylpyrazole-4-carbohydrazide (CID 781738) is 5-amino-1-benzylpyrazole-4-carbohydrazide.
What is the SMILES notation for 5-amino-1-benzylpyrazole-4-carbohydrazide?
The canonical SMILES for 5-amino-1-benzylpyrazole-4-carbohydrazide is NNC(=O)c1cnn(Cc2ccccc2)c1N.
What is the InChIKey of 5-amino-1-benzylpyrazole-4-carbohydrazide?
The InChIKey is QQRCQUWTDHLMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c12-10-9(11(17)15-13)6-14-16(10)7-8-4-2-1-3-5-8/h1-6H,7,12-13H2,(H,15,17).
What are the key properties of 5-amino-1-benzylpyrazole-4-carbohydrazide?
5-amino-1-benzylpyrazole-4-carbohydrazide has a molecular weight of 231.26 g/mol, XLogP of 0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-benzylpyrazole-4-carbohydrazide is sourced from PubChem (CID 781738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).