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

C12H15N3O — CID 79487779

IUPAC[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methanamine
SMILESCCOc1ccc(-c2[nH]ncc2CN)cc1
InChIInChI=1S/C12H15N3O/c1-2-16-11-5-3-9(4-6-11)12-10(7-13)8-14-15-12/h3-6,8H,2,7,13H2,1H3,(H,14,15)
InChIKeyGOQIEFMARLGUBY-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.93
Rot. Bonds4

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

[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methanamine (PubChem CID 79487779) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methanamine
PubChem CID79487779
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methanamine
SMILESCCOc1ccc(-c2[nH]ncc2CN)cc1
InChIInChI=1S/C12H15N3O/c1-2-16-11-5-3-9(4-6-11)12-10(7-13)8-14-15-12/h3-6,8H,2,7,13H2,1H3,(H,14,15)
InChIKeyGOQIEFMARLGUBY-UHFFFAOYSA-N
XLogP1.93
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methanamine?
The IUPAC name of [5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methanamine (CID 79487779) is [5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for [5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for [5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methanamine is CCOc1ccc(-c2[nH]ncc2CN)cc1.
What is the InChIKey of [5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methanamine?
The InChIKey is GOQIEFMARLGUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-16-11-5-3-9(4-6-11)12-10(7-13)8-14-15-12/h3-6,8H,2,7,13H2,1H3,(H,14,15).
What are the key properties of [5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methanamine?
[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methanamine has a molecular weight of 217.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 79487779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).