5-(2-chlorophenyl)-1H-pyrazol-4-amine;hydrochloride

C9H9Cl2N3 — CID 13303425

IUPAC5-(2-chlorophenyl)-1H-pyrazol-4-amine;hydrochloride
SMILESCl.Nc1cn[nH]c1-c1ccccc1Cl
InChIInChI=1S/C9H8ClN3.ClH/c10-7-4-2-1-3-6(7)9-8(11)5-12-13-9;/h1-5H,11H2,(H,12,13);1H
InChIKeyNCZJHCLTSJOWAD-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.73
Rot. Bonds1

About 5-(2-chlorophenyl)-1H-pyrazol-4-amine;hydrochloride

5-(2-chlorophenyl)-1H-pyrazol-4-amine;hydrochloride (PubChem CID 13303425) has the molecular formula C9H9Cl2N3 and a molecular weight of 230.10 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1H-pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1H-pyrazol-4-amine;hydrochloride
PubChem CID13303425
Molecular FormulaC9H9Cl2N3
Molecular Weight230.10 g/mol
Exact Mass229.02
IUPAC Name5-(2-chlorophenyl)-1H-pyrazol-4-amine;hydrochloride
SMILESCl.Nc1cn[nH]c1-c1ccccc1Cl
InChIInChI=1S/C9H8ClN3.ClH/c10-7-4-2-1-3-6(7)9-8(11)5-12-13-9;/h1-5H,11H2,(H,12,13);1H
InChIKeyNCZJHCLTSJOWAD-UHFFFAOYSA-N
XLogP2.73
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1H-pyrazol-4-amine;hydrochloride?
The IUPAC name of 5-(2-chlorophenyl)-1H-pyrazol-4-amine;hydrochloride (CID 13303425) is 5-(2-chlorophenyl)-1H-pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 5-(2-chlorophenyl)-1H-pyrazol-4-amine;hydrochloride?
The canonical SMILES for 5-(2-chlorophenyl)-1H-pyrazol-4-amine;hydrochloride is Cl.Nc1cn[nH]c1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-1H-pyrazol-4-amine;hydrochloride?
The InChIKey is NCZJHCLTSJOWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3.ClH/c10-7-4-2-1-3-6(7)9-8(11)5-12-13-9;/h1-5H,11H2,(H,12,13);1H.
What are the key properties of 5-(2-chlorophenyl)-1H-pyrazol-4-amine;hydrochloride?
5-(2-chlorophenyl)-1H-pyrazol-4-amine;hydrochloride has a molecular weight of 230.10 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1H-pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 13303425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).