N-ethyl-3-(4-methoxy-1-methylpyrazol-5-yl)-1-phenylpropan-1-amine

C16H23N3O — CID 114664432

IUPACN-ethyl-3-(4-methoxy-1-methylpyrazol-5-yl)-1-phenylpropan-1-amine
SMILESCCNC(CCc1c(OC)cnn1C)c1ccccc1
InChIInChI=1S/C16H23N3O/c1-4-17-14(13-8-6-5-7-9-13)10-11-15-16(20-3)12-18-19(15)2/h5-9,12,14,17H,4,10-11H2,1-3H3
InChIKeyFDMAHXNZAGYVIH-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.71
Rot. Bonds7

About N-ethyl-3-(4-methoxy-1-methylpyrazol-5-yl)-1-phenylpropan-1-amine

N-ethyl-3-(4-methoxy-1-methylpyrazol-5-yl)-1-phenylpropan-1-amine (PubChem CID 114664432) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-ethyl-3-(4-methoxy-1-methylpyrazol-5-yl)-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-methoxy-1-methylpyrazol-5-yl)-1-phenylpropan-1-amine
PubChem CID114664432
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-ethyl-3-(4-methoxy-1-methylpyrazol-5-yl)-1-phenylpropan-1-amine
SMILESCCNC(CCc1c(OC)cnn1C)c1ccccc1
InChIInChI=1S/C16H23N3O/c1-4-17-14(13-8-6-5-7-9-13)10-11-15-16(20-3)12-18-19(15)2/h5-9,12,14,17H,4,10-11H2,1-3H3
InChIKeyFDMAHXNZAGYVIH-UHFFFAOYSA-N
XLogP2.71
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-1-phenylpropan-1-amine
CID 114664429
N-ethyl-3-(2-methoxy-5-methylphenyl)-1-phenylpropan-1-amine
CID 62159966
3-(4-methoxy-1-propylpyrazol-5-yl)-1-phenylpropan-1-amine
CID 114663919
1-(4-methoxy-1-methylpyrazol-5-yl)pentan-3-amine
CID 114663864
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 114648431
N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114656065
N-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114539589
N-ethyl-3-(3-methoxyphenyl)-1-phenylpropan-1-amine
CID 60996666
N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105046940
N-ethyl-2-(2-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114648626
5-(3-bromo-4-methylpentyl)-4-methoxy-1-methylpyrazole
CID 114665460
N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine
CID 114648370

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-methoxy-1-methylpyrazol-5-yl)-1-phenylpropan-1-amine?
The IUPAC name of N-ethyl-3-(4-methoxy-1-methylpyrazol-5-yl)-1-phenylpropan-1-amine (CID 114664432) is N-ethyl-3-(4-methoxy-1-methylpyrazol-5-yl)-1-phenylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-(4-methoxy-1-methylpyrazol-5-yl)-1-phenylpropan-1-amine?
The canonical SMILES for N-ethyl-3-(4-methoxy-1-methylpyrazol-5-yl)-1-phenylpropan-1-amine is CCNC(CCc1c(OC)cnn1C)c1ccccc1.
What is the InChIKey of N-ethyl-3-(4-methoxy-1-methylpyrazol-5-yl)-1-phenylpropan-1-amine?
The InChIKey is FDMAHXNZAGYVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-17-14(13-8-6-5-7-9-13)10-11-15-16(20-3)12-18-19(15)2/h5-9,12,14,17H,4,10-11H2,1-3H3.
What are the key properties of N-ethyl-3-(4-methoxy-1-methylpyrazol-5-yl)-1-phenylpropan-1-amine?
N-ethyl-3-(4-methoxy-1-methylpyrazol-5-yl)-1-phenylpropan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-methoxy-1-methylpyrazol-5-yl)-1-phenylpropan-1-amine is sourced from PubChem (CID 114664432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).