1-(1-ethylpyrazol-4-yl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine

C15H22N4 — CID 103569563

IUPAC1-(1-ethylpyrazol-4-yl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCCn1cc(C(CN)N(C)c2cccc(C)c2)cn1
InChIInChI=1S/C15H22N4/c1-4-19-11-13(10-17-19)15(9-16)18(3)14-7-5-6-12(2)8-14/h5-8,10-11,15H,4,9,16H2,1-3H3
InChIKeyOCIOFUOEEAQOTF-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.35
Rot. Bonds5

About 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine

1-(1-ethylpyrazol-4-yl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 103569563) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
PubChem CID103569563
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-(1-ethylpyrazol-4-yl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCCn1cc(C(CN)N(C)c2cccc(C)c2)cn1
InChIInChI=1S/C15H22N4/c1-4-19-11-13(10-17-19)15(9-16)18(3)14-7-5-6-12(2)8-14/h5-8,10-11,15H,4,9,16H2,1-3H3
InChIKeyOCIOFUOEEAQOTF-UHFFFAOYSA-N
XLogP2.35
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-4-yl)-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 103569698
N-ethyl-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 103569436
1-(3-chlorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62001665
N-(2,4-dimethylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571837
1-(4-fluoro-3-methylphenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62122195
1-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 103569668
(1S)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-(3-methylphenyl)ethanamine
CID 81360333
1-(1-ethylpyrazol-4-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 103569459
N-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylethane-1,2-diamine
CID 103569442
1-(2,3-difluorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 63668595
N-(cyclohexylmethyl)-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 103569513
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine (CID 103569563) is 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine is CCn1cc(C(CN)N(C)c2cccc(C)c2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is OCIOFUOEEAQOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-19-11-13(10-17-19)15(9-16)18(3)14-7-5-6-12(2)8-14/h5-8,10-11,15H,4,9,16H2,1-3H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine?
1-(1-ethylpyrazol-4-yl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 258.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 103569563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).