4-(3-chloro-2-methylphenyl)-1H-pyrazol-5-amine;hydrochloride

C10H11Cl2N3 — CID 24844191

IUPAC4-(3-chloro-2-methylphenyl)-1H-pyrazol-5-amine;hydrochloride
SMILESCc1c(Cl)cccc1-c1cn[nH]c1N.Cl
InChIInChI=1S/C10H10ClN3.ClH/c1-6-7(3-2-4-9(6)11)8-5-13-14-10(8)12;/h2-5H,1H3,(H3,12,13,14);1H
InChIKeyDKGRHERIJZHEID-UHFFFAOYSA-N
MW244.13 g/mol
LogP3.04
Rot. Bonds1

About 4-(3-chloro-2-methylphenyl)-1H-pyrazol-5-amine;hydrochloride

4-(3-chloro-2-methylphenyl)-1H-pyrazol-5-amine;hydrochloride (PubChem CID 24844191) has the molecular formula C10H11Cl2N3 and a molecular weight of 244.13 g/mol. Its IUPAC name is 4-(3-chloro-2-methylphenyl)-1H-pyrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name4-(3-chloro-2-methylphenyl)-1H-pyrazol-5-amine;hydrochloride
PubChem CID24844191
Molecular FormulaC10H11Cl2N3
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name4-(3-chloro-2-methylphenyl)-1H-pyrazol-5-amine;hydrochloride
SMILESCc1c(Cl)cccc1-c1cn[nH]c1N.Cl
InChIInChI=1S/C10H10ClN3.ClH/c1-6-7(3-2-4-9(6)11)8-5-13-14-10(8)12;/h2-5H,1H3,(H3,12,13,14);1H
InChIKeyDKGRHERIJZHEID-UHFFFAOYSA-N
XLogP3.04
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylphenyl)-1H-pyrazol-5-amine;hydrochloride?
The IUPAC name of 4-(3-chloro-2-methylphenyl)-1H-pyrazol-5-amine;hydrochloride (CID 24844191) is 4-(3-chloro-2-methylphenyl)-1H-pyrazol-5-amine;hydrochloride.
What is the SMILES notation for 4-(3-chloro-2-methylphenyl)-1H-pyrazol-5-amine;hydrochloride?
The canonical SMILES for 4-(3-chloro-2-methylphenyl)-1H-pyrazol-5-amine;hydrochloride is Cc1c(Cl)cccc1-c1cn[nH]c1N.Cl.
What is the InChIKey of 4-(3-chloro-2-methylphenyl)-1H-pyrazol-5-amine;hydrochloride?
The InChIKey is DKGRHERIJZHEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3.ClH/c1-6-7(3-2-4-9(6)11)8-5-13-14-10(8)12;/h2-5H,1H3,(H3,12,13,14);1H.
What are the key properties of 4-(3-chloro-2-methylphenyl)-1H-pyrazol-5-amine;hydrochloride?
4-(3-chloro-2-methylphenyl)-1H-pyrazol-5-amine;hydrochloride has a molecular weight of 244.13 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylphenyl)-1H-pyrazol-5-amine;hydrochloride is sourced from PubChem (CID 24844191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).