5-(3-ethyl-2-methoxyphenyl)-1H-pyrazol-3-amine

C12H15N3O — CID 117309562

IUPAC5-(3-ethyl-2-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCCc1cccc(-c2cc(N)n[nH]2)c1OC
InChIInChI=1S/C12H15N3O/c1-3-8-5-4-6-9(12(8)16-2)10-7-11(13)15-14-10/h4-7H,3H2,1-2H3,(H3,13,14,15)
InChIKeyPFMMIGLPMFXDDU-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.23
Rot. Bonds3

About 5-(3-ethyl-2-methoxyphenyl)-1H-pyrazol-3-amine

5-(3-ethyl-2-methoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 117309562) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-(3-ethyl-2-methoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-ethyl-2-methoxyphenyl)-1H-pyrazol-3-amine
PubChem CID117309562
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-(3-ethyl-2-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCCc1cccc(-c2cc(N)n[nH]2)c1OC
InChIInChI=1S/C12H15N3O/c1-3-8-5-4-6-9(12(8)16-2)10-7-11(13)15-14-10/h4-7H,3H2,1-2H3,(H3,13,14,15)
InChIKeyPFMMIGLPMFXDDU-UHFFFAOYSA-N
XLogP2.23
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide
CID 117464714
5-[3-(1-fluoroethyl)-2-methoxyphenyl]-1H-pyrazol-3-amine
CID 117342094
5-(3-chloro-2-methoxy-4-methylphenyl)-1H-pyrazol-3-amine
CID 117348125
5-(7-ethyl-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine
CID 84742218
5-(2-cyclopentyloxy-3-methoxyphenyl)-1H-pyrazol-3-amine
CID 117435982
5-(4-ethoxynaphthalen-1-yl)-1H-pyrazol-3-amine
CID 3539207
5-(3-ethylphenyl)-1H-pyrazol-3-amine
CID 117280888
5-phthalazin-5-yl-1H-pyrazol-3-amine
CID 117301213
2-(3-ethyl-2-methoxyphenyl)-5-methylpyrazine
CID 167101555
1-ethyl-2-methoxy-3-(3-nitrosophenyl)benzene
CID 143170065
2-(3-ethyl-2-methoxyphenyl)cyclohepta-2,4,6-trien-1-one
CID 118330551
5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 117322792

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-2-methoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-ethyl-2-methoxyphenyl)-1H-pyrazol-3-amine (CID 117309562) is 5-(3-ethyl-2-methoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-ethyl-2-methoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-ethyl-2-methoxyphenyl)-1H-pyrazol-3-amine is CCc1cccc(-c2cc(N)n[nH]2)c1OC.
What is the InChIKey of 5-(3-ethyl-2-methoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is PFMMIGLPMFXDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-8-5-4-6-9(12(8)16-2)10-7-11(13)15-14-10/h4-7H,3H2,1-2H3,(H3,13,14,15).
What are the key properties of 5-(3-ethyl-2-methoxyphenyl)-1H-pyrazol-3-amine?
5-(3-ethyl-2-methoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 217.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-2-methoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117309562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).