3,5-diphenyl-1H-pyrrole-2-carbohydrazide

C17H15N3O — CID 4617212

IUPAC3,5-diphenyl-1H-pyrrole-2-carbohydrazide
SMILESNNC(=O)c1[nH]c(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C17H15N3O/c18-20-17(21)16-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11,19H,18H2,(H,20,21)
InChIKeyWBWDOOBDYREQEJ-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.95
Rot. Bonds3

About 3,5-diphenyl-1H-pyrrole-2-carbohydrazide

3,5-diphenyl-1H-pyrrole-2-carbohydrazide (PubChem CID 4617212) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3,5-diphenyl-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name3,5-diphenyl-1H-pyrrole-2-carbohydrazide
PubChem CID4617212
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name3,5-diphenyl-1H-pyrrole-2-carbohydrazide
SMILESNNC(=O)c1[nH]c(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C17H15N3O/c18-20-17(21)16-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11,19H,18H2,(H,20,21)
InChIKeyWBWDOOBDYREQEJ-UHFFFAOYSA-N
XLogP2.95
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

bis(3,5-diphenyl-1H-pyrrol-2-yl)methanone
CID 153465332
3-phenyl-1H-pyrrole-2-carbohydrazide
CID 90424323
ethyl 5-(4-iodophenyl)-3-phenyl-1H-pyrrole-2-carboxylate
CID 102235864
2-oxo-6-phenyl-1H-pyridine-3-carbohydrazide
CID 82521335
N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 88850560
3-(4-butoxyphenyl)-5-phenyl-1H-pyrrole-2-carboxylic acid
CID 70836257
azulene-1-carbohydrazide
CID 45118106
2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid
CID 134324247
methyl 8-[3-(4-methoxyphenyl)-5-phenyl-1H-pyrrol-2-yl]-8-oxooctanoate
CID 157267999
3-(4-methoxyphenyl)-5-phenyl-N-[[4-(2-sulfanylethylcarbamoyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 51038885
ethyl 5-(2-fluorophenyl)-3-phenyl-1H-pyrrole-2-carboxylate
CID 141297667
[3,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-phenylmethanone
CID 22648579

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 3,5-diphenyl-1H-pyrrole-2-carbohydrazide (CID 4617212) is 3,5-diphenyl-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 3,5-diphenyl-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 3,5-diphenyl-1H-pyrrole-2-carbohydrazide is NNC(=O)c1[nH]c(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 3,5-diphenyl-1H-pyrrole-2-carbohydrazide?
The InChIKey is WBWDOOBDYREQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-20-17(21)16-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11,19H,18H2,(H,20,21).
What are the key properties of 3,5-diphenyl-1H-pyrrole-2-carbohydrazide?
3,5-diphenyl-1H-pyrrole-2-carbohydrazide has a molecular weight of 277.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 4617212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).