1-phenyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride

C13H16ClN3 — CID 129104721

IUPAC1-phenyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride
SMILESCl.NC1CCCc2c1cnn2-c1ccccc1
InChIInChI=1S/C13H15N3.ClH/c14-12-7-4-8-13-11(12)9-15-16(13)10-5-2-1-3-6-10;/h1-3,5-6,9,12H,4,7-8,14H2;1H
InChIKeyCDLVRMZPQDJLHE-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.63
Rot. Bonds1

About 1-phenyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride

1-phenyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride (PubChem CID 129104721) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 1-phenyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-phenyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride
PubChem CID129104721
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name1-phenyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride
SMILESCl.NC1CCCc2c1cnn2-c1ccccc1
InChIInChI=1S/C13H15N3.ClH/c14-12-7-4-8-13-11(12)9-15-16(13)10-5-2-1-3-6-10;/h1-3,5-6,9,12H,4,7-8,14H2;1H
InChIKeyCDLVRMZPQDJLHE-UHFFFAOYSA-N
XLogP2.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384308
1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine
CID 83861524
1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 44819704
(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 96730162
(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 94133505
1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384454
4-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenyl-4,5,6,7-tetrahydroindazole
CID 11524449
N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 166631798
oxalic acid;1-phenyl-4-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydroindazole
CID 11682746
1-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazol-4-amine
CID 82879754
ethyl 2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)acetate;2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethanol
CID 159074400
1-(6-methylpyridazin-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384433

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride?
The IUPAC name of 1-phenyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride (CID 129104721) is 1-phenyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride.
What is the SMILES notation for 1-phenyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride?
The canonical SMILES for 1-phenyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride is Cl.NC1CCCc2c1cnn2-c1ccccc1.
What is the InChIKey of 1-phenyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride?
The InChIKey is CDLVRMZPQDJLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3.ClH/c14-12-7-4-8-13-11(12)9-15-16(13)10-5-2-1-3-6-10;/h1-3,5-6,9,12H,4,7-8,14H2;1H.
What are the key properties of 1-phenyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride?
1-phenyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride has a molecular weight of 249.75 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride is sourced from PubChem (CID 129104721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).