4-phenyl-4H-pyrazol-3-amine;hydrochloride

C9H10ClN3 — CID 517664

IUPAC4-phenyl-4H-pyrazol-3-amine;hydrochloride
SMILESCl.NC1=NN=CC1c1ccccc1
InChIInChI=1S/C9H9N3.ClH/c10-9-8(6-11-12-9)7-4-2-1-3-5-7;/h1-6,8H,(H2,10,12);1H
InChIKeyRDXUHTZACYVRKB-UHFFFAOYSA-N
MW195.65 g/mol
LogP1.55
Rot. Bonds1

About 4-phenyl-4H-pyrazol-3-amine;hydrochloride

4-phenyl-4H-pyrazol-3-amine;hydrochloride (PubChem CID 517664) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 4-phenyl-4H-pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name4-phenyl-4H-pyrazol-3-amine;hydrochloride
PubChem CID517664
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name4-phenyl-4H-pyrazol-3-amine;hydrochloride
SMILESCl.NC1=NN=CC1c1ccccc1
InChIInChI=1S/C9H9N3.ClH/c10-9-8(6-11-12-9)7-4-2-1-3-5-7;/h1-6,8H,(H2,10,12);1H
InChIKeyRDXUHTZACYVRKB-UHFFFAOYSA-N
XLogP1.55
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4H-pyrazol-3-amine;hydrochloride?
The IUPAC name of 4-phenyl-4H-pyrazol-3-amine;hydrochloride (CID 517664) is 4-phenyl-4H-pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 4-phenyl-4H-pyrazol-3-amine;hydrochloride?
The canonical SMILES for 4-phenyl-4H-pyrazol-3-amine;hydrochloride is Cl.NC1=NN=CC1c1ccccc1.
What is the InChIKey of 4-phenyl-4H-pyrazol-3-amine;hydrochloride?
The InChIKey is RDXUHTZACYVRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3.ClH/c10-9-8(6-11-12-9)7-4-2-1-3-5-7;/h1-6,8H,(H2,10,12);1H.
What are the key properties of 4-phenyl-4H-pyrazol-3-amine;hydrochloride?
4-phenyl-4H-pyrazol-3-amine;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4H-pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 517664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).