N-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine

C16H23N3O — CID 62039810

IUPACN-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
SMILESCOc1ccc(C(C)NCCCc2cn[nH]c2C)cc1
InChIInChI=1S/C16H23N3O/c1-12(14-6-8-16(20-3)9-7-14)17-10-4-5-15-11-18-19-13(15)2/h6-9,11-12,17H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyBMOPQVNSAIHAIU-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.01
Rot. Bonds7

About N-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine

N-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine (PubChem CID 62039810) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
PubChem CID62039810
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
SMILESCOc1ccc(C(C)NCCCc2cn[nH]c2C)cc1
InChIInChI=1S/C16H23N3O/c1-12(14-6-8-16(20-3)9-7-14)17-10-4-5-15-11-18-19-13(15)2/h6-9,11-12,17H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyBMOPQVNSAIHAIU-UHFFFAOYSA-N
XLogP3.01
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(5-methyl-1H-pyrazol-4-yl)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 62037912
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 82991380
N-[1-(2,6-difluorophenyl)ethyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 62040022
1-(4-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine
CID 62040667
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 29042009
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 83155306
3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 81370417
3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol
CID 43206530
N-(dithiophen-2-ylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 62040679
4-[1-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]propyl]phenol
CID 62040234
1-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 54893050
3-(5-methyl-1H-pyrazol-4-yl)-N-[1-(3-nitrophenyl)ethyl]propan-1-amine
CID 62037915

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine (CID 62039810) is N-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine is COc1ccc(C(C)NCCCc2cn[nH]c2C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine?
The InChIKey is BMOPQVNSAIHAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(14-6-8-16(20-3)9-7-14)17-10-4-5-15-11-18-19-13(15)2/h6-9,11-12,17H,4-5,10H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine?
N-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 62039810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).