1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine

C14H17N3 — CID 107384308

IUPAC1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
SMILESNC1CCCCc2c1cnn2-c1ccccc1
InChIInChI=1S/C14H17N3/c15-13-8-4-5-9-14-12(13)10-16-17(14)11-6-2-1-3-7-11/h1-3,6-7,10,13H,4-5,8-9,15H2
InChIKeyFATOUPFWZPJPFF-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.60
Rot. Bonds1

About 1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine

1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine (PubChem CID 107384308) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine.

Molecular Properties

Compound Name1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
PubChem CID107384308
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
SMILESNC1CCCCc2c1cnn2-c1ccccc1
InChIInChI=1S/C14H17N3/c15-13-8-4-5-9-14-12(13)10-16-17(14)11-6-2-1-3-7-11/h1-3,6-7,10,13H,4-5,8-9,15H2
InChIKeyFATOUPFWZPJPFF-UHFFFAOYSA-N
XLogP2.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The IUPAC name of 1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine (CID 107384308) is 1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine.
What is the SMILES notation for 1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The canonical SMILES for 1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine is NC1CCCCc2c1cnn2-c1ccccc1.
What is the InChIKey of 1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The InChIKey is FATOUPFWZPJPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c15-13-8-4-5-9-14-12(13)10-16-17(14)11-6-2-1-3-7-11/h1-3,6-7,10,13H,4-5,8-9,15H2.
What are the key properties of 1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine has a molecular weight of 227.31 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine is sourced from PubChem (CID 107384308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).