3-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-5-amine

C12H14ClN3O — CID 82087820

IUPAC3-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-5-amine
SMILESCn1nc(CCOc2cccc(Cl)c2)cc1N
InChIInChI=1S/C12H14ClN3O/c1-16-12(14)8-10(15-16)5-6-17-11-4-2-3-9(13)7-11/h2-4,7-8H,5-6,14H2,1H3
InChIKeyHRPQTLWHRBLGAL-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.28
Rot. Bonds4

About 3-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-5-amine

3-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-5-amine (PubChem CID 82087820) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 3-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-5-amine
PubChem CID82087820
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name3-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-5-amine
SMILESCn1nc(CCOc2cccc(Cl)c2)cc1N
InChIInChI=1S/C12H14ClN3O/c1-16-12(14)8-10(15-16)5-6-17-11-4-2-3-9(13)7-11/h2-4,7-8H,5-6,14H2,1H3
InChIKeyHRPQTLWHRBLGAL-UHFFFAOYSA-N
XLogP2.28
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine
CID 82083972
1-methyl-3-(2-naphthalen-2-yloxyethyl)pyrazol-5-amine
CID 82092271
3-[(3-ethylphenoxy)methyl]-1-methylpyrazol-5-amine
CID 82082157
3-(3-chlorophenoxy)propan-1-amine;ethane
CID 156874591
1-[2-(3-chlorophenoxy)ethyl]-5-propyltriazol-4-amine
CID 79542672
2-(3-chlorophenoxy)ethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55562156
3-[(4-fluorophenoxy)methyl]-1-methylpyrazol-5-amine
CID 82079978
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
[1-(3-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine
CID 105317037
4-[5-(3-chlorophenoxy)pentyl]-3,5-dimethyl-1H-pyrazole;hydrochloride
CID 163332805
4-(2-chloroethyl)-1-[2-(3-chlorophenoxy)ethyl]triazole
CID 62401195
2-[3-(3-chlorophenoxy)propoxy]aniline
CID 43365954

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-5-amine (CID 82087820) is 3-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-5-amine is Cn1nc(CCOc2cccc(Cl)c2)cc1N.
What is the InChIKey of 3-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-5-amine?
The InChIKey is HRPQTLWHRBLGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-16-12(14)8-10(15-16)5-6-17-11-4-2-3-9(13)7-11/h2-4,7-8H,5-6,14H2,1H3.
What are the key properties of 3-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-5-amine?
3-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-5-amine has a molecular weight of 251.72 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 82087820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).