1-(4-methylphenyl)-5-(4-phenoxyphenyl)pyrazole-3-carbohydrazide

C23H20N4O2 — CID 23992415

IUPAC1-(4-methylphenyl)-5-(4-phenoxyphenyl)pyrazole-3-carbohydrazide
SMILESCc1ccc(-n2nc(C(=O)NN)cc2-c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C23H20N4O2/c1-16-7-11-18(12-8-16)27-22(15-21(26-27)23(28)25-24)17-9-13-20(14-10-17)29-19-5-3-2-4-6-19/h2-15H,24H2,1H3,(H,25,28)
InChIKeySLSZWWYNOPZTRJ-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.24
Rot. Bonds5

About 1-(4-methylphenyl)-5-(4-phenoxyphenyl)pyrazole-3-carbohydrazide

1-(4-methylphenyl)-5-(4-phenoxyphenyl)pyrazole-3-carbohydrazide (PubChem CID 23992415) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-(4-phenoxyphenyl)pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-(4-phenoxyphenyl)pyrazole-3-carbohydrazide
PubChem CID23992415
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name1-(4-methylphenyl)-5-(4-phenoxyphenyl)pyrazole-3-carbohydrazide
SMILESCc1ccc(-n2nc(C(=O)NN)cc2-c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C23H20N4O2/c1-16-7-11-18(12-8-16)27-22(15-21(26-27)23(28)25-24)17-9-13-20(14-10-17)29-19-5-3-2-4-6-19/h2-15H,24H2,1H3,(H,25,28)
InChIKeySLSZWWYNOPZTRJ-UHFFFAOYSA-N
XLogP4.24
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.24
H-Bond Donors ≤ 52
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-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbohydrazide
CID 166610813
1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid
CID 750183
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 78888374
N-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 52650371
[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-(2-methoxyphenyl)methanone
CID 14871128
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide
CID 3372740
1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide
CID 164610011
ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate
CID 11370315
5-(4-methoxyphenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide
CID 155947371
ethyl (E)-3-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]prop-2-enoate
CID 14871149
N'-(2-chlorobenzoyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carbohydrazide
CID 55765038
5-(4-methoxyphenyl)-1-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 55775417

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-(4-phenoxyphenyl)pyrazole-3-carbohydrazide?
The IUPAC name of 1-(4-methylphenyl)-5-(4-phenoxyphenyl)pyrazole-3-carbohydrazide (CID 23992415) is 1-(4-methylphenyl)-5-(4-phenoxyphenyl)pyrazole-3-carbohydrazide.
What is the SMILES notation for 1-(4-methylphenyl)-5-(4-phenoxyphenyl)pyrazole-3-carbohydrazide?
The canonical SMILES for 1-(4-methylphenyl)-5-(4-phenoxyphenyl)pyrazole-3-carbohydrazide is Cc1ccc(-n2nc(C(=O)NN)cc2-c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-(4-phenoxyphenyl)pyrazole-3-carbohydrazide?
The InChIKey is SLSZWWYNOPZTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-16-7-11-18(12-8-16)27-22(15-21(26-27)23(28)25-24)17-9-13-20(14-10-17)29-19-5-3-2-4-6-19/h2-15H,24H2,1H3,(H,25,28).
What are the key properties of 1-(4-methylphenyl)-5-(4-phenoxyphenyl)pyrazole-3-carbohydrazide?
1-(4-methylphenyl)-5-(4-phenoxyphenyl)pyrazole-3-carbohydrazide has a molecular weight of 384.44 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-(4-phenoxyphenyl)pyrazole-3-carbohydrazide is sourced from PubChem (CID 23992415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).