3-tert-butyl-1-(2-methoxy-5-methylphenyl)pyrazol-5-amine;hydrochloride

C15H22ClN3O — CID 44891492

IUPAC3-tert-butyl-1-(2-methoxy-5-methylphenyl)pyrazol-5-amine;hydrochloride
SMILESCOc1ccc(C)cc1-n1nc(C(C)(C)C)cc1N.Cl
InChIInChI=1S/C15H21N3O.ClH/c1-10-6-7-12(19-5)11(8-10)18-14(16)9-13(17-18)15(2,3)4;/h6-9H,16H2,1-5H3;1H
InChIKeyMEHWZWMINCGBIX-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.49
Rot. Bonds2

About 3-tert-butyl-1-(2-methoxy-5-methylphenyl)pyrazol-5-amine;hydrochloride

3-tert-butyl-1-(2-methoxy-5-methylphenyl)pyrazol-5-amine;hydrochloride (PubChem CID 44891492) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 3-tert-butyl-1-(2-methoxy-5-methylphenyl)pyrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name3-tert-butyl-1-(2-methoxy-5-methylphenyl)pyrazol-5-amine;hydrochloride
PubChem CID44891492
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name3-tert-butyl-1-(2-methoxy-5-methylphenyl)pyrazol-5-amine;hydrochloride
SMILESCOc1ccc(C)cc1-n1nc(C(C)(C)C)cc1N.Cl
InChIInChI=1S/C15H21N3O.ClH/c1-10-6-7-12(19-5)11(8-10)18-14(16)9-13(17-18)15(2,3)4;/h6-9H,16H2,1-5H3;1H
InChIKeyMEHWZWMINCGBIX-UHFFFAOYSA-N
XLogP3.49
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-1-(3-methoxy-4-methylphenyl)pyrazol-5-amine
CID 59151784
N-(4-tert-butylphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazol-4-amine
CID 130471929
3-(5-amino-3-tert-butylpyrazol-1-yl)-2-methylbenzoic acid;hydrochloride
CID 69113717
3-tert-butyl-1-phenylpyrazol-5-amine;ethane
CID 143140261
1-[1-(2-methoxy-5-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 84760375
3-tert-butyl-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole
CID 58171700
1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole
CID 39243590
3-(2-methoxy-5-methylphenyl)-5-pyridin-4-yltriazol-4-amine
CID 82370825
[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
CID 62738146
[3-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine
CID 82200722
2-(5-amino-3-tert-butylpyrazol-1-yl)benzoic acid
CID 141134718
1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 82200726

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2-methoxy-5-methylphenyl)pyrazol-5-amine;hydrochloride?
The IUPAC name of 3-tert-butyl-1-(2-methoxy-5-methylphenyl)pyrazol-5-amine;hydrochloride (CID 44891492) is 3-tert-butyl-1-(2-methoxy-5-methylphenyl)pyrazol-5-amine;hydrochloride.
What is the SMILES notation for 3-tert-butyl-1-(2-methoxy-5-methylphenyl)pyrazol-5-amine;hydrochloride?
The canonical SMILES for 3-tert-butyl-1-(2-methoxy-5-methylphenyl)pyrazol-5-amine;hydrochloride is COc1ccc(C)cc1-n1nc(C(C)(C)C)cc1N.Cl.
What is the InChIKey of 3-tert-butyl-1-(2-methoxy-5-methylphenyl)pyrazol-5-amine;hydrochloride?
The InChIKey is MEHWZWMINCGBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O.ClH/c1-10-6-7-12(19-5)11(8-10)18-14(16)9-13(17-18)15(2,3)4;/h6-9H,16H2,1-5H3;1H.
What are the key properties of 3-tert-butyl-1-(2-methoxy-5-methylphenyl)pyrazol-5-amine;hydrochloride?
3-tert-butyl-1-(2-methoxy-5-methylphenyl)pyrazol-5-amine;hydrochloride has a molecular weight of 295.81 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2-methoxy-5-methylphenyl)pyrazol-5-amine;hydrochloride is sourced from PubChem (CID 44891492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).