[2-(2-methoxyphenyl)pyrazol-3-yl]methanamine

C11H13N3O — CID 83881539

IUPAC[2-(2-methoxyphenyl)pyrazol-3-yl]methanamine
SMILESCOc1ccccc1-n1nccc1CN
InChIInChI=1S/C11H13N3O/c1-15-11-5-3-2-4-10(11)14-9(8-12)6-7-13-14/h2-7H,8,12H2,1H3
InChIKeyKAOBQCDNLUKGQV-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.34
Rot. Bonds3

About [2-(2-methoxyphenyl)pyrazol-3-yl]methanamine

[2-(2-methoxyphenyl)pyrazol-3-yl]methanamine (PubChem CID 83881539) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)pyrazol-3-yl]methanamine
PubChem CID83881539
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name[2-(2-methoxyphenyl)pyrazol-3-yl]methanamine
SMILESCOc1ccccc1-n1nccc1CN
InChIInChI=1S/C11H13N3O/c1-15-11-5-3-2-4-10(11)14-9(8-12)6-7-13-14/h2-7H,8,12H2,1H3
InChIKeyKAOBQCDNLUKGQV-UHFFFAOYSA-N
XLogP1.34
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-amine
CID 120834427
N'-benzyl-N'-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]ethane-1,2-diamine
CID 120844312
[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837654
1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine
CID 120843343
1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 120840739
N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine
CID 120842509
[1-(2-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66440981
1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 120842677
[1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 66440778
(4aS,7aS)-6-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 139010341
N-(2-aminoethyl)-1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide
CID 120837260
3-(chloromethyl)-1-(2-methoxyphenyl)-5-methylpyrazole
CID 82129618

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)pyrazol-3-yl]methanamine?
The IUPAC name of [2-(2-methoxyphenyl)pyrazol-3-yl]methanamine (CID 83881539) is [2-(2-methoxyphenyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [2-(2-methoxyphenyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [2-(2-methoxyphenyl)pyrazol-3-yl]methanamine is COc1ccccc1-n1nccc1CN.
What is the InChIKey of [2-(2-methoxyphenyl)pyrazol-3-yl]methanamine?
The InChIKey is KAOBQCDNLUKGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-15-11-5-3-2-4-10(11)14-9(8-12)6-7-13-14/h2-7H,8,12H2,1H3.
What are the key properties of [2-(2-methoxyphenyl)pyrazol-3-yl]methanamine?
[2-(2-methoxyphenyl)pyrazol-3-yl]methanamine has a molecular weight of 203.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 83881539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).