[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine

C11H13N3O — CID 79487408

IUPAC[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine
SMILESCOc1cccc(-c2[nH]ncc2CN)c1
InChIInChI=1S/C11H13N3O/c1-15-10-4-2-3-8(5-10)11-9(6-12)7-13-14-11/h2-5,7H,6,12H2,1H3,(H,13,14)
InChIKeyVIHVIAPBWIPZED-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.54
Rot. Bonds3

About [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine

[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine (PubChem CID 79487408) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine
PubChem CID79487408
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine
SMILESCOc1cccc(-c2[nH]ncc2CN)c1
InChIInChI=1S/C11H13N3O/c1-15-10-4-2-3-8(5-10)11-9(6-12)7-13-14-11/h2-5,7H,6,12H2,1H3,(H,13,14)
InChIKeyVIHVIAPBWIPZED-UHFFFAOYSA-N
XLogP1.54
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 47271559
[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanamine
CID 79484478
1-ethyl-4-methoxybenzene;(5-phenyl-1H-pyrazol-4-yl)methanamine
CID 143794069
(2S,3R)-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95277535
1-[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]-N-methylmethanamine
CID 79484904
[2-(3-methoxyphenyl)-3-pyridinyl]methanamine
CID 82508828
[1-ethyl-5-(3-methoxyphenyl)pyrazol-4-yl]methanamine
CID 105489897
5-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824347
[5-(furan-2-yl)-1H-pyrazol-4-yl]methanamine
CID 79487509
N-[[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79484999
N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-5-(1-phenylpropyl)-1,3,4-thiadiazol-2-amine
CID 167920161
N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
CID 167956831

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine?
The IUPAC name of [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine (CID 79487408) is [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine is COc1cccc(-c2[nH]ncc2CN)c1.
What is the InChIKey of [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine?
The InChIKey is VIHVIAPBWIPZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-15-10-4-2-3-8(5-10)11-9(6-12)7-13-14-11/h2-5,7H,6,12H2,1H3,(H,13,14).
What are the key properties of [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine?
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine has a molecular weight of 203.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 79487408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).