N-[(2-ethylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine

C15H21N3 — CID 103135731

IUPACN-[(2-ethylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccn(C)n1)c1ccccc1CC
InChIInChI=1S/C15H21N3/c1-4-12-8-6-7-9-13(12)15(16-5-2)14-10-11-18(3)17-14/h6-11,15-16H,4-5H2,1-3H3
InChIKeyLRUAUARNZKRPKD-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.68
Rot. Bonds5

About N-[(2-ethylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine

N-[(2-ethylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 103135731) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(2-ethylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID103135731
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[(2-ethylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccn(C)n1)c1ccccc1CC
InChIInChI=1S/C15H21N3/c1-4-12-8-6-7-9-13(12)15(16-5-2)14-10-11-18(3)17-14/h6-11,15-16H,4-5H2,1-3H3
InChIKeyLRUAUARNZKRPKD-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 65200482
N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 65200285
N-[(2-ethoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 65200592
N-[(1-methylpyrazol-3-yl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 103135601
N-[(2-chlorofuran-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 106693494
N-[(3-bromo-2-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 106645665
N-[(1-methylpyrazol-3-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]ethanamine
CID 103134633
N-[(1-methylpyrazol-3-yl)-thiophen-2-ylmethyl]ethanamine
CID 65200220
N-[(2-tert-butylphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103135640
N-[(2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103135736
N-ethyl-2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200329
N-[(1-methylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 65200804

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-ethylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine (CID 103135731) is N-[(2-ethylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-ethylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-ethylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine is CCNC(c1ccn(C)n1)c1ccccc1CC.
What is the InChIKey of N-[(2-ethylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is LRUAUARNZKRPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-12-8-6-7-9-13(12)15(16-5-2)14-10-11-18(3)17-14/h6-11,15-16H,4-5H2,1-3H3.
What are the key properties of N-[(2-ethylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine?
N-[(2-ethylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 103135731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).