[3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methanamine;hydrochloride

C13H18ClN3 — CID 68802903

IUPAC[3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methanamine;hydrochloride
SMILESCc1cccc(-n2nc(C)c(CN)c2C)c1.Cl
InChIInChI=1S/C13H17N3.ClH/c1-9-5-4-6-12(7-9)16-11(3)13(8-14)10(2)15-16;/h4-7H,8,14H2,1-3H3;1H
InChIKeyOJTSMPLPNOKTLW-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.68
Rot. Bonds2

About [3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methanamine;hydrochloride

[3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methanamine;hydrochloride (PubChem CID 68802903) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is [3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methanamine;hydrochloride
PubChem CID68802903
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name[3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methanamine;hydrochloride
SMILESCc1cccc(-n2nc(C)c(CN)c2C)c1.Cl
InChIInChI=1S/C13H17N3.ClH/c1-9-5-4-6-12(7-9)16-11(3)13(8-14)10(2)15-16;/h4-7H,8,14H2,1-3H3;1H
InChIKeyOJTSMPLPNOKTLW-UHFFFAOYSA-N
XLogP2.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]benzoate
CID 84760298
propan-2-yl 3-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]benzoate
CID 84760299
[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine
CID 82076540
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine
CID 79220501
butyl 3-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]benzoate
CID 84760296
[1-(3-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine
CID 82081655
[1-(3-chloro-4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 82091856
[1-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 82094824
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
CID 114799027
1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
CID 79170217
[1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine
CID 117123859

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methanamine;hydrochloride (CID 68802903) is [3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methanamine;hydrochloride is Cc1cccc(-n2nc(C)c(CN)c2C)c1.Cl.
What is the InChIKey of [3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methanamine;hydrochloride?
The InChIKey is OJTSMPLPNOKTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3.ClH/c1-9-5-4-6-12(7-9)16-11(3)13(8-14)10(2)15-16;/h4-7H,8,14H2,1-3H3;1H.
What are the key properties of [3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methanamine;hydrochloride?
[3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methanamine;hydrochloride has a molecular weight of 251.76 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 68802903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).