1-(4-propoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine

C15H21N3O — CID 54897283

IUPAC1-(4-propoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
SMILESCCCOc1ccc(C(C)NCc2cn[nH]c2)cc1
InChIInChI=1S/C15H21N3O/c1-3-8-19-15-6-4-14(5-7-15)12(2)16-9-13-10-17-18-11-13/h4-7,10-12,16H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyLHWWETMFQVBVAM-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.05
Rot. Bonds7

About 1-(4-propoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine

1-(4-propoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine (PubChem CID 54897283) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(4-propoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-propoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
PubChem CID54897283
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(4-propoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
SMILESCCCOc1ccc(C(C)NCc2cn[nH]c2)cc1
InChIInChI=1S/C15H21N3O/c1-3-8-19-15-6-4-14(5-7-15)12(2)16-9-13-10-17-18-11-13/h4-7,10-12,16H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyLHWWETMFQVBVAM-UHFFFAOYSA-N
XLogP3.05
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 61000601
(1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 81347006
1-[4-(2-methylpropyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 54897141
4-[1-(1H-pyrazol-4-ylmethylamino)ethyl]benzonitrile
CID 54897525
1-(3,5-dimethylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 78950438
N-[(5-methylpyrazin-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine
CID 62845690
4-[[1-(4-propoxyphenyl)ethylamino]methyl]benzoic acid
CID 122030771
N-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 43181726
(1S)-N-[(4-butoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 28644901
4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol
CID 64913817
N-[(5-methylfuran-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine
CID 62048598
N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 61000273

Frequently Asked Questions

What is the IUPAC name of 1-(4-propoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine?
The IUPAC name of 1-(4-propoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine (CID 54897283) is 1-(4-propoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-propoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-propoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine is CCCOc1ccc(C(C)NCc2cn[nH]c2)cc1.
What is the InChIKey of 1-(4-propoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine?
The InChIKey is LHWWETMFQVBVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-8-19-15-6-4-14(5-7-15)12(2)16-9-13-10-17-18-11-13/h4-7,10-12,16H,3,8-9H2,1-2H3,(H,17,18).
What are the key properties of 1-(4-propoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine?
1-(4-propoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine has a molecular weight of 259.35 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 54897283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).