2-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanamine

C18H27N3 — CID 82699197

IUPAC2-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanamine
SMILESCCc1ccc(Cn2nc(CC)c(CCN)c2CC)cc1
InChIInChI=1S/C18H27N3/c1-4-14-7-9-15(10-8-14)13-21-18(6-3)16(11-12-19)17(5-2)20-21/h7-10H,4-6,11-13,19H2,1-3H3
InChIKeyACRZCVLYONVXBK-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.12
Rot. Bonds7

About 2-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanamine

2-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanamine (PubChem CID 82699197) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanamine
PubChem CID82699197
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanamine
SMILESCCc1ccc(Cn2nc(CC)c(CCN)c2CC)cc1
InChIInChI=1S/C18H27N3/c1-4-14-7-9-15(10-8-14)13-21-18(6-3)16(11-12-19)17(5-2)20-21/h7-10H,4-6,11-13,19H2,1-3H3
InChIKeyACRZCVLYONVXBK-UHFFFAOYSA-N
XLogP3.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanamine (CID 82699197) is 2-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanamine is CCc1ccc(Cn2nc(CC)c(CCN)c2CC)cc1.
What is the InChIKey of 2-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanamine?
The InChIKey is ACRZCVLYONVXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-14-7-9-15(10-8-14)13-21-18(6-3)16(11-12-19)17(5-2)20-21/h7-10H,4-6,11-13,19H2,1-3H3.
What are the key properties of 2-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanamine?
2-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanamine has a molecular weight of 285.44 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanamine is sourced from PubChem (CID 82699197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).