1-(4-methoxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine

C14H19N3O — CID 66242814

IUPAC1-(4-methoxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
SMILESCOc1ccc(C(C)NC(C)c2ccn[nH]2)cc1
InChIInChI=1S/C14H19N3O/c1-10(12-4-6-13(18-3)7-5-12)16-11(2)14-8-9-15-17-14/h4-11,16H,1-3H3,(H,15,17)
InChIKeyZHQFCRVQRJHQMX-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.83
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine

1-(4-methoxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine (PubChem CID 66242814) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
PubChem CID66242814
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(4-methoxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
SMILESCOc1ccc(C(C)NC(C)c2ccn[nH]2)cc1
InChIInChI=1S/C14H19N3O/c1-10(12-4-6-13(18-3)7-5-12)16-11(2)14-8-9-15-17-14/h4-11,16H,1-3H3,(H,15,17)
InChIKeyZHQFCRVQRJHQMX-UHFFFAOYSA-N
XLogP2.83
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propan-2-yloxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 60972184
(1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81349237
(1R)-1-(4-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81355261
5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole
CID 174830432
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
1-(3-bromo-4-methoxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 54881812
4-[1-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]benzenesulfonamide
CID 60972429
(1S)-1-(4-methoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 81370559
N-[1-(5-methylfuran-2-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 60971542
1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81407071
(1S)-1-(3-chlorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81366906
1-(3-fluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 54881269

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine (CID 66242814) is 1-(4-methoxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine is COc1ccc(C(C)NC(C)c2ccn[nH]2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine?
The InChIKey is ZHQFCRVQRJHQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(12-4-6-13(18-3)7-5-12)16-11(2)14-8-9-15-17-14/h4-11,16H,1-3H3,(H,15,17).
What are the key properties of 1-(4-methoxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine?
1-(4-methoxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 66242814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).