1-(2,5-dimethylphenyl)pyrazol-3-amine;hydrochloride

C11H14ClN3 — CID 167724461

IUPAC1-(2,5-dimethylphenyl)pyrazol-3-amine;hydrochloride
SMILESCc1ccc(C)c(-n2ccc(N)n2)c1.Cl
InChIInChI=1S/C11H13N3.ClH/c1-8-3-4-9(2)10(7-8)14-6-5-11(12)13-14;/h3-7H,1-2H3,(H2,12,13);1H
InChIKeyVYTDWRSSESKRNJ-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.49
Rot. Bonds1

About 1-(2,5-dimethylphenyl)pyrazol-3-amine;hydrochloride

1-(2,5-dimethylphenyl)pyrazol-3-amine;hydrochloride (PubChem CID 167724461) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)pyrazol-3-amine;hydrochloride
PubChem CID167724461
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name1-(2,5-dimethylphenyl)pyrazol-3-amine;hydrochloride
SMILESCc1ccc(C)c(-n2ccc(N)n2)c1.Cl
InChIInChI=1S/C11H13N3.ClH/c1-8-3-4-9(2)10(7-8)14-6-5-11(12)13-14;/h3-7H,1-2H3,(H2,12,13);1H
InChIKeyVYTDWRSSESKRNJ-UHFFFAOYSA-N
XLogP2.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)pyrazol-3-amine
CID 62677926
2-(3-aminopyrazol-1-yl)-4-methylbenzonitrile
CID 62308531
1-(2,5-dimethylphenyl)-3-(methoxymethyl)pyrazole
CID 66016718
4-methyl-3-(3-methylpyrazol-1-yl)aniline
CID 82405406
1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-amine
CID 83217155
2-(2,5-dimethylphenyl)-4,5-dimethyltriazole
CID 54146141
1-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-amine
CID 57289097
3-(5-chlorothiophen-2-yl)-1-(2,5-dimethylphenyl)pyrazol-4-amine
CID 83217231
1-(3-chloro-2-methyl-4-pyridinyl)pyrazol-3-amine
CID 130588403
1-(2,5-dimethylphenyl)-3-(furan-3-yl)pyrazol-4-amine
CID 83217234
2-(2,5-dimethylphenyl)pyrazol-3-amine
CID 43316773
1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazol-4-amine
CID 83216124

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)pyrazol-3-amine;hydrochloride?
The IUPAC name of 1-(2,5-dimethylphenyl)pyrazol-3-amine;hydrochloride (CID 167724461) is 1-(2,5-dimethylphenyl)pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 1-(2,5-dimethylphenyl)pyrazol-3-amine;hydrochloride?
The canonical SMILES for 1-(2,5-dimethylphenyl)pyrazol-3-amine;hydrochloride is Cc1ccc(C)c(-n2ccc(N)n2)c1.Cl.
What is the InChIKey of 1-(2,5-dimethylphenyl)pyrazol-3-amine;hydrochloride?
The InChIKey is VYTDWRSSESKRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3.ClH/c1-8-3-4-9(2)10(7-8)14-6-5-11(12)13-14;/h3-7H,1-2H3,(H2,12,13);1H.
What are the key properties of 1-(2,5-dimethylphenyl)pyrazol-3-amine;hydrochloride?
1-(2,5-dimethylphenyl)pyrazol-3-amine;hydrochloride has a molecular weight of 223.71 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 167724461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).