N-[[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine

C15H21N3 — CID 66441481

IUPACN-[[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(-c2ccccc2C)c1CC
InChIInChI=1S/C15H21N3/c1-4-14-13(10-16-5-2)11-17-18(14)15-9-7-6-8-12(15)3/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyQOTFVKYXORMMME-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.85
Rot. Bonds5

About N-[[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine

N-[[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine (PubChem CID 66441481) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
PubChem CID66441481
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(-c2ccccc2C)c1CC
InChIInChI=1S/C15H21N3/c1-4-14-13(10-16-5-2)11-17-18(14)15-9-7-6-8-12(15)3/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyQOTFVKYXORMMME-UHFFFAOYSA-N
XLogP2.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-ethyl-1-(2-methoxyphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66441179
[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine
CID 66441482
N-[[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine
CID 66442086
N-[[1-(3,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]ethanamine
CID 66440506
N-[[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine
CID 66441080
[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methanol
CID 66436357
N-[[1-(2-chlorophenyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine
CID 66440099
N-[(1-phenyl-5-propylpyrazol-4-yl)methyl]ethanamine
CID 66440844
N-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66441882
ethyl 3-[[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methylamino]propanoate
CID 118177499
2-methoxy-N-[[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66440069
N-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66442082

Frequently Asked Questions

What is the IUPAC name of N-[[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine (CID 66441481) is N-[[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine is CCNCc1cnn(-c2ccccc2C)c1CC.
What is the InChIKey of N-[[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine?
The InChIKey is QOTFVKYXORMMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-14-13(10-16-5-2)11-17-18(14)15-9-7-6-8-12(15)3/h6-9,11,16H,4-5,10H2,1-3H3.
What are the key properties of N-[[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine?
N-[[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66441481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).