1-[4-(2-methylpropyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine

C17H25N3 — CID 43681733

IUPAC1-[4-(2-methylpropyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCC(C)Cc1ccc(C(C)NCc2ccnn2C)cc1
InChIInChI=1S/C17H25N3/c1-13(2)11-15-5-7-16(8-6-15)14(3)18-12-17-9-10-19-20(17)4/h5-10,13-14,18H,11-12H2,1-4H3
InChIKeyAXWYNTUUAUZMCM-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.47
Rot. Bonds6

About 1-[4-(2-methylpropyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine

1-[4-(2-methylpropyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 43681733) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID43681733
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-[4-(2-methylpropyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCC(C)Cc1ccc(C(C)NCc2ccnn2C)cc1
InChIInChI=1S/C17H25N3/c1-13(2)11-15-5-7-16(8-6-15)14(3)18-12-17-9-10-19-20(17)4/h5-10,13-14,18H,11-12H2,1-4H3
InChIKeyAXWYNTUUAUZMCM-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 79479697
(1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 79479907
N-[(2-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine
CID 63011246
1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43673323
1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43663310
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 113442203
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 82885094
(1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399075
1-(2-ethylpyrazol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 19625601
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708566
4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzonitrile
CID 104693858
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 104693840

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (CID 43681733) is 1-[4-(2-methylpropyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is CC(C)Cc1ccc(C(C)NCc2ccnn2C)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is AXWYNTUUAUZMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-13(2)11-15-5-7-16(8-6-15)14(3)18-12-17-9-10-19-20(17)4/h5-10,13-14,18H,11-12H2,1-4H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
1-[4-(2-methylpropyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 43681733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).