4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride

C11H14ClN3O — CID 75530669

IUPAC4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride
SMILESCOc1ccc(-c2c(N)n[nH]c2C)cc1.Cl
InChIInChI=1S/C11H13N3O.ClH/c1-7-10(11(12)14-13-7)8-3-5-9(15-2)6-4-8;/h3-6H,1-2H3,(H3,12,13,14);1H
InChIKeyRTMJNPRMHBARTO-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.40
Rot. Bonds2

About 4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride

4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride (PubChem CID 75530669) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride
PubChem CID75530669
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride
SMILESCOc1ccc(-c2c(N)n[nH]c2C)cc1.Cl
InChIInChI=1S/C11H13N3O.ClH/c1-7-10(11(12)14-13-7)8-3-5-9(15-2)6-4-8;/h3-6H,1-2H3,(H3,12,13,14);1H
InChIKeyRTMJNPRMHBARTO-UHFFFAOYSA-N
XLogP2.40
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine
CID 104519640
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4-iodo-5-(4-methoxyphenyl)-1H-pyrazol-3-amine
CID 3705848
4-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine
CID 66767985
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5-benzyl-4-(4-methoxyphenyl)-1H-pyrazol-3-amine
CID 6456520
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CID 11564957
4-(4-methoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-3-amine
CID 62907421
[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
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5-(2-bromofuran-3-yl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine
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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride?
The IUPAC name of 4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride (CID 75530669) is 4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride?
The canonical SMILES for 4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride is COc1ccc(-c2c(N)n[nH]c2C)cc1.Cl.
What is the InChIKey of 4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride?
The InChIKey is RTMJNPRMHBARTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O.ClH/c1-7-10(11(12)14-13-7)8-3-5-9(15-2)6-4-8;/h3-6H,1-2H3,(H3,12,13,14);1H.
What are the key properties of 4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride?
4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride has a molecular weight of 239.71 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 75530669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).