[3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine

C13H17N3O — CID 82474858

IUPAC[3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
SMILESCOc1ccc(C)cc1-c1n[nH]c(C)c1CN
InChIInChI=1S/C13H17N3O/c1-8-4-5-12(17-3)10(6-8)13-11(7-14)9(2)15-16-13/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyXQEOVSNVQDYKPV-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.16
Rot. Bonds3

About [3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine

[3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine (PubChem CID 82474858) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
PubChem CID82474858
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
SMILESCOc1ccc(C)cc1-c1n[nH]c(C)c1CN
InChIInChI=1S/C13H17N3O/c1-8-4-5-12(17-3)10(6-8)13-11(7-14)9(2)15-16-13/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyXQEOVSNVQDYKPV-UHFFFAOYSA-N
XLogP2.16
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(5-chloro-2-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine
CID 82486849
[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 54851145
3-(2-methoxy-5-methylphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
CID 83850261
(5-methoxy-3-methyl-2H-indazol-4-yl)methanamine
CID 117109608
5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1H-pyridazin-6-one
CID 82446377
3-(2-methoxy-5-methylphenyl)-1H-indazole-6-carboxylic acid
CID 39218703
[5-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methanamine
CID 82484193
4-ethyl-3-(2-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 62505793
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine
CID 28709823
5-(2-aminoethyl)-4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine
CID 39363228
4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-5-amine
CID 82391060
[2-(2-methoxy-5-methylphenyl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 81462901

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine?
The IUPAC name of [3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine (CID 82474858) is [3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for [3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for [3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine is COc1ccc(C)cc1-c1n[nH]c(C)c1CN.
What is the InChIKey of [3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine?
The InChIKey is XQEOVSNVQDYKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8-4-5-12(17-3)10(6-8)13-11(7-14)9(2)15-16-13/h4-6H,7,14H2,1-3H3,(H,15,16).
What are the key properties of [3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine?
[3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 82474858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).