1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide

C14H13N5O — CID 2767863

IUPAC1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide
SMILESNNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1
InChIInChI=1S/C14H13N5O/c15-17-13(20)12-10-16-19(11-6-2-1-3-7-11)14(12)18-8-4-5-9-18/h1-10H,15H2,(H,17,20)
InChIKeyCXZMPXJTNZMSKQ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.27
Rot. Bonds3

About 1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide

1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide (PubChem CID 2767863) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide
PubChem CID2767863
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide
SMILESNNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1
InChIInChI=1S/C14H13N5O/c15-17-13(20)12-10-16-19(11-6-2-1-3-7-11)14(12)18-8-4-5-9-18/h1-10H,15H2,(H,17,20)
InChIKeyCXZMPXJTNZMSKQ-UHFFFAOYSA-N
XLogP1.27
TPSA77.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.27
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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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide?
The IUPAC name of 1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide (CID 2767863) is 1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide.
What is the SMILES notation for 1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide?
The canonical SMILES for 1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide is NNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1.
What is the InChIKey of 1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide?
The InChIKey is CXZMPXJTNZMSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c15-17-13(20)12-10-16-19(11-6-2-1-3-7-11)14(12)18-8-4-5-9-18/h1-10H,15H2,(H,17,20).
What are the key properties of 1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide?
1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide has a molecular weight of 267.29 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide is sourced from PubChem (CID 2767863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).