2-(2-methylpropoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline

C15H21N3O — CID 54881549

IUPAC2-(2-methylpropoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
SMILESCC(C)COc1ccccc1NC(C)c1ccn[nH]1
InChIInChI=1S/C15H21N3O/c1-11(2)10-19-15-7-5-4-6-14(15)17-12(3)13-8-9-16-18-13/h4-9,11-12,17H,10H2,1-3H3,(H,16,18)
InChIKeyAYRIKILSANYLAF-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.62
Rot. Bonds6

About 2-(2-methylpropoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline

2-(2-methylpropoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline (PubChem CID 54881549) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name2-(2-methylpropoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
PubChem CID54881549
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(2-methylpropoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
SMILESCC(C)COc1ccccc1NC(C)c1ccn[nH]1
InChIInChI=1S/C15H21N3O/c1-11(2)10-19-15-7-5-4-6-14(15)17-12(3)13-8-9-16-18-13/h4-9,11-12,17H,10H2,1-3H3,(H,16,18)
InChIKeyAYRIKILSANYLAF-UHFFFAOYSA-N
XLogP3.62
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropoxy)-1-(1H-pyrazol-5-yl)ethanamine
CID 82710249
N-(dicyclopropylmethyl)-2-(2-methylpropoxy)aniline
CID 54864889
2-N-[2-(2-methylpropoxy)phenyl]propane-1,2-diamine
CID 103389265
N-[1-(1H-pyrazol-5-yl)ethyl]-2-(pyrrolidin-1-ylmethyl)aniline
CID 60971669
N-[1-(1H-pyrazol-5-yl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 54881297
N-cyclopentyl-2-(2-methylpropoxy)aniline
CID 54864910
2-(2-methylpropoxy)-N-(pyridin-2-ylmethyl)aniline
CID 54864900
N-[1-(1H-pyrazol-5-yl)ethyl]pyrimidin-5-amine
CID 107587588
2,5-dimethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60973136
2-(2-methylpropoxy)-N-octan-2-ylaniline
CID 63452971
2-(2-methylpropoxy)-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79539102
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
CID 60936477

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline?
The IUPAC name of 2-(2-methylpropoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline (CID 54881549) is 2-(2-methylpropoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline.
What is the SMILES notation for 2-(2-methylpropoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline?
The canonical SMILES for 2-(2-methylpropoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline is CC(C)COc1ccccc1NC(C)c1ccn[nH]1.
What is the InChIKey of 2-(2-methylpropoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline?
The InChIKey is AYRIKILSANYLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)10-19-15-7-5-4-6-14(15)17-12(3)13-8-9-16-18-13/h4-9,11-12,17H,10H2,1-3H3,(H,16,18).
What are the key properties of 2-(2-methylpropoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline?
2-(2-methylpropoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline has a molecular weight of 259.35 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]aniline is sourced from PubChem (CID 54881549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).