1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine

C15H21N3 — CID 79170217

IUPAC1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
SMILESCCc1c(C)nn(-c2cccc(C(C)N)c2)c1C
InChIInChI=1S/C15H21N3/c1-5-15-11(3)17-18(12(15)4)14-8-6-7-13(9-14)10(2)16/h6-10H,5,16H2,1-4H3
InChIKeyOXKHBEDTIBLPIN-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.07
Rot. Bonds3

About 1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine

1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine (PubChem CID 79170217) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
PubChem CID79170217
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
SMILESCCc1c(C)nn(-c2cccc(C(C)N)c2)c1C
InChIInChI=1S/C15H21N3/c1-5-15-11(3)17-18(12(15)4)14-8-6-7-13(9-14)10(2)16/h6-10H,5,16H2,1-4H3
InChIKeyOXKHBEDTIBLPIN-UHFFFAOYSA-N
XLogP3.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
CID 55189262
1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 79168257
(1R)-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]ethanamine
CID 114056502
3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
CID 114799027
1-[3-(5-methyltetrazol-1-yl)phenyl]ethanamine
CID 43829237
[3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methanamine;hydrochloride
CID 68802903
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 61238841
1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole
CID 50888250
N-[[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 61270971
1-[2-amino-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 104613148
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbenzonitrile
CID 81281768
N-ethyl-3-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
CID 79223350

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine (CID 79170217) is 1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine is CCc1c(C)nn(-c2cccc(C(C)N)c2)c1C.
What is the InChIKey of 1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine?
The InChIKey is OXKHBEDTIBLPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-5-15-11(3)17-18(12(15)4)14-8-6-7-13(9-14)10(2)16/h6-10H,5,16H2,1-4H3.
What are the key properties of 1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine?
1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 79170217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).