3-benzhydryl-5-methyl-1H-pyrazole-4-carbohydrazide

C18H18N4O — CID 54851741

IUPAC3-benzhydryl-5-methyl-1H-pyrazole-4-carbohydrazide
SMILESCc1[nH]nc(C(c2ccccc2)c2ccccc2)c1C(=O)NN
InChIInChI=1S/C18H18N4O/c1-12-15(18(23)20-19)17(22-21-12)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyCNTCCFBKCNAABN-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.50
Rot. Bonds4

About 3-benzhydryl-5-methyl-1H-pyrazole-4-carbohydrazide

3-benzhydryl-5-methyl-1H-pyrazole-4-carbohydrazide (PubChem CID 54851741) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-benzhydryl-5-methyl-1H-pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name3-benzhydryl-5-methyl-1H-pyrazole-4-carbohydrazide
PubChem CID54851741
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name3-benzhydryl-5-methyl-1H-pyrazole-4-carbohydrazide
SMILESCc1[nH]nc(C(c2ccccc2)c2ccccc2)c1C(=O)NN
InChIInChI=1S/C18H18N4O/c1-12-15(18(23)20-19)17(22-21-12)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyCNTCCFBKCNAABN-UHFFFAOYSA-N
XLogP2.50
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.50
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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Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-5-methyl-1H-pyrazole-4-carbohydrazide?
The IUPAC name of 3-benzhydryl-5-methyl-1H-pyrazole-4-carbohydrazide (CID 54851741) is 3-benzhydryl-5-methyl-1H-pyrazole-4-carbohydrazide.
What is the SMILES notation for 3-benzhydryl-5-methyl-1H-pyrazole-4-carbohydrazide?
The canonical SMILES for 3-benzhydryl-5-methyl-1H-pyrazole-4-carbohydrazide is Cc1[nH]nc(C(c2ccccc2)c2ccccc2)c1C(=O)NN.
What is the InChIKey of 3-benzhydryl-5-methyl-1H-pyrazole-4-carbohydrazide?
The InChIKey is CNTCCFBKCNAABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12-15(18(23)20-19)17(22-21-12)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,19H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-benzhydryl-5-methyl-1H-pyrazole-4-carbohydrazide?
3-benzhydryl-5-methyl-1H-pyrazole-4-carbohydrazide has a molecular weight of 306.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-5-methyl-1H-pyrazole-4-carbohydrazide is sourced from PubChem (CID 54851741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).