[3-(3,4-dimethylphenyl)-1-ethylpyrazol-5-yl]methanamine

C14H19N3 — CID 84746367

IUPAC[3-(3,4-dimethylphenyl)-1-ethylpyrazol-5-yl]methanamine
SMILESCCn1nc(-c2ccc(C)c(C)c2)cc1CN
InChIInChI=1S/C14H19N3/c1-4-17-13(9-15)8-14(16-17)12-6-5-10(2)11(3)7-12/h5-8H,4,9,15H2,1-3H3
InChIKeyOEYSBSYYKQRSNR-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.65
Rot. Bonds3

About [3-(3,4-dimethylphenyl)-1-ethylpyrazol-5-yl]methanamine

[3-(3,4-dimethylphenyl)-1-ethylpyrazol-5-yl]methanamine (PubChem CID 84746367) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is [3-(3,4-dimethylphenyl)-1-ethylpyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(3,4-dimethylphenyl)-1-ethylpyrazol-5-yl]methanamine
PubChem CID84746367
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name[3-(3,4-dimethylphenyl)-1-ethylpyrazol-5-yl]methanamine
SMILESCCn1nc(-c2ccc(C)c(C)c2)cc1CN
InChIInChI=1S/C14H19N3/c1-4-17-13(9-15)8-14(16-17)12-6-5-10(2)11(3)7-12/h5-8H,4,9,15H2,1-3H3
InChIKeyOEYSBSYYKQRSNR-UHFFFAOYSA-N
XLogP2.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-bromophenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84761577
[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84746375
[1-ethyl-3-(4-methoxyphenyl)pyrazol-5-yl]methanamine
CID 84761591
[1-ethyl-3-(4-methylsulfonylphenyl)pyrazol-5-yl]methanamine
CID 84761660
[1-ethyl-3-(3-nitrophenyl)pyrazol-5-yl]methanamine
CID 84761582
N-[3-[5-(aminomethyl)-1-ethylpyrazol-3-yl]phenyl]acetamide
CID 84761606
2-[6-(3,4-dimethylphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile
CID 82444849
6-[5-(aminomethyl)-1-ethylpyrazol-3-yl]-4H-1,4-benzoxazin-3-one
CID 84761603
[3-(2,4-dichlorophenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84761580
(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)methanamine
CID 121211007
[1-methyl-3-(4-methyl-3-nitrophenyl)pyrazol-5-yl]methanamine
CID 84761562
(1-ethyl-3-iodopyrazol-5-yl)methanamine
CID 154881848

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethylphenyl)-1-ethylpyrazol-5-yl]methanamine?
The IUPAC name of [3-(3,4-dimethylphenyl)-1-ethylpyrazol-5-yl]methanamine (CID 84746367) is [3-(3,4-dimethylphenyl)-1-ethylpyrazol-5-yl]methanamine.
What is the SMILES notation for [3-(3,4-dimethylphenyl)-1-ethylpyrazol-5-yl]methanamine?
The canonical SMILES for [3-(3,4-dimethylphenyl)-1-ethylpyrazol-5-yl]methanamine is CCn1nc(-c2ccc(C)c(C)c2)cc1CN.
What is the InChIKey of [3-(3,4-dimethylphenyl)-1-ethylpyrazol-5-yl]methanamine?
The InChIKey is OEYSBSYYKQRSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-17-13(9-15)8-14(16-17)12-6-5-10(2)11(3)7-12/h5-8H,4,9,15H2,1-3H3.
What are the key properties of [3-(3,4-dimethylphenyl)-1-ethylpyrazol-5-yl]methanamine?
[3-(3,4-dimethylphenyl)-1-ethylpyrazol-5-yl]methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethylphenyl)-1-ethylpyrazol-5-yl]methanamine is sourced from PubChem (CID 84746367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).