2-[4-(3-ethoxyphenyl)pyrazol-1-yl]ethanamine;hydrochloride

C13H18ClN3O — CID 164607150

IUPAC2-[4-(3-ethoxyphenyl)pyrazol-1-yl]ethanamine;hydrochloride
SMILESCCOc1cccc(-c2cnn(CCN)c2)c1.Cl
InChIInChI=1S/C13H17N3O.ClH/c1-2-17-13-5-3-4-11(8-13)12-9-15-16(10-12)7-6-14;/h3-5,8-10H,2,6-7,14H2,1H3;1H
InChIKeyLTUGGVHJVLLIQM-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.33
Rot. Bonds5

About 2-[4-(3-ethoxyphenyl)pyrazol-1-yl]ethanamine;hydrochloride

2-[4-(3-ethoxyphenyl)pyrazol-1-yl]ethanamine;hydrochloride (PubChem CID 164607150) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-[4-(3-ethoxyphenyl)pyrazol-1-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-(3-ethoxyphenyl)pyrazol-1-yl]ethanamine;hydrochloride
PubChem CID164607150
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-[4-(3-ethoxyphenyl)pyrazol-1-yl]ethanamine;hydrochloride
SMILESCCOc1cccc(-c2cnn(CCN)c2)c1.Cl
InChIInChI=1S/C13H17N3O.ClH/c1-2-17-13-5-3-4-11(8-13)12-9-15-16(10-12)7-6-14;/h3-5,8-10H,2,6-7,14H2,1H3;1H
InChIKeyLTUGGVHJVLLIQM-UHFFFAOYSA-N
XLogP2.33
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]ethanamine
CID 164607154
3-[4-(2-ethoxyphenyl)pyrazol-1-yl]propan-1-amine;hydrochloride
CID 164608406
2-[4-(4-ethylphenyl)pyrazol-1-yl]ethanamine
CID 82113702
3-[4-(3-phenylmethoxyphenyl)pyrazol-1-yl]propan-1-ol
CID 172649346
2-[2-(4-phenylpyrazol-1-yl)ethoxy]ethanamine
CID 103482340
1-(3-methoxypropyl)-4-(3-phenylphenyl)pyrazole
CID 166333734
10-(4-phenylpyrazol-1-yl)decan-1-amine
CID 150162722
2-[4-(4-propan-2-ylphenyl)pyrazol-1-yl]ethanamine;hydrochloride
CID 164608290
4-(4-ethoxyphenyl)-1-prop-2-ynylpyrazole
CID 97034177
2-[4-[4-(methoxymethyl)phenyl]pyrazol-1-yl]ethanamine
CID 164607189
1-[2-(2-phenoxyethoxy)ethyl]-4-phenylpyrazole
CID 86975191
1-(2-fluoroethyl)-4-phenylpyrazole
CID 23381768

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethoxyphenyl)pyrazol-1-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[4-(3-ethoxyphenyl)pyrazol-1-yl]ethanamine;hydrochloride (CID 164607150) is 2-[4-(3-ethoxyphenyl)pyrazol-1-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[4-(3-ethoxyphenyl)pyrazol-1-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[4-(3-ethoxyphenyl)pyrazol-1-yl]ethanamine;hydrochloride is CCOc1cccc(-c2cnn(CCN)c2)c1.Cl.
What is the InChIKey of 2-[4-(3-ethoxyphenyl)pyrazol-1-yl]ethanamine;hydrochloride?
The InChIKey is LTUGGVHJVLLIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O.ClH/c1-2-17-13-5-3-4-11(8-13)12-9-15-16(10-12)7-6-14;/h3-5,8-10H,2,6-7,14H2,1H3;1H.
What are the key properties of 2-[4-(3-ethoxyphenyl)pyrazol-1-yl]ethanamine;hydrochloride?
2-[4-(3-ethoxyphenyl)pyrazol-1-yl]ethanamine;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethoxyphenyl)pyrazol-1-yl]ethanamine;hydrochloride is sourced from PubChem (CID 164607150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).