(4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine

C13H17N3O — CID 43124250

IUPAC(4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine
SMILESCCOc1ccc(C(N)c2cnn(C)c2)cc1
InChIInChI=1S/C13H17N3O/c1-3-17-12-6-4-10(5-7-12)13(14)11-8-15-16(2)9-11/h4-9,13H,3,14H2,1-2H3
InChIKeyGHKVAZZHDSYYBH-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.87
Rot. Bonds4

About (4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine

(4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine (PubChem CID 43124250) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine
PubChem CID43124250
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine
SMILESCCOc1ccc(C(N)c2cnn(C)c2)cc1
InChIInChI=1S/C13H17N3O/c1-3-17-12-6-4-10(5-7-12)13(14)11-8-15-16(2)9-11/h4-9,13H,3,14H2,1-2H3
InChIKeyGHKVAZZHDSYYBH-UHFFFAOYSA-N
XLogP1.87
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 64625808
(4-ethoxyphenyl)-(1H-pyrazol-4-yl)methanamine
CID 82239705
(4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine
CID 106848489
(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239826
(R)-(4-ethoxyphenyl)-thiophen-3-ylmethanamine
CID 93053796
(2-bromophenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124230
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
6-[amino-(4-ethoxyphenyl)methyl]-2-methylpyridazin-3-one
CID 82442111
(3,4-diethoxyphenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088204
(4-ethoxyphenyl)-(5-fluoro-2-pyridinyl)methanamine
CID 79722742
(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-(1-methylpyrazol-4-yl)methanamine
CID 115288641
1-(2-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 64628170

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of (4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine (CID 43124250) is (4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for (4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for (4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine is CCOc1ccc(C(N)c2cnn(C)c2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is GHKVAZZHDSYYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-17-12-6-4-10(5-7-12)13(14)11-8-15-16(2)9-11/h4-9,13H,3,14H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine?
(4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 231.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 43124250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).