2-(4-methoxyphenyl)-3-pyrazol-1-ylpropan-1-amine

C13H17N3O — CID 115038406

IUPAC2-(4-methoxyphenyl)-3-pyrazol-1-ylpropan-1-amine
SMILESCOc1ccc(C(CN)Cn2cccn2)cc1
InChIInChI=1S/C13H17N3O/c1-17-13-5-3-11(4-6-13)12(9-14)10-16-8-2-7-15-16/h2-8,12H,9-10,14H2,1H3
InChIKeyQFNRKWSEPVCWLG-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.63
Rot. Bonds5

About 2-(4-methoxyphenyl)-3-pyrazol-1-ylpropan-1-amine

2-(4-methoxyphenyl)-3-pyrazol-1-ylpropan-1-amine (PubChem CID 115038406) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-pyrazol-1-ylpropan-1-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-pyrazol-1-ylpropan-1-amine
PubChem CID115038406
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(4-methoxyphenyl)-3-pyrazol-1-ylpropan-1-amine
SMILESCOc1ccc(C(CN)Cn2cccn2)cc1
InChIInChI=1S/C13H17N3O/c1-17-13-5-3-11(4-6-13)12(9-14)10-16-8-2-7-15-16/h2-8,12H,9-10,14H2,1H3
InChIKeyQFNRKWSEPVCWLG-UHFFFAOYSA-N
XLogP1.63
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
(2S)-2-(4-methoxyphenyl)butan-1-amine
CID 15215732
1-(4-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propan-1-amine
CID 43749281
1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 81371484
1-(4-methoxyphenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol
CID 56828855
(1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81370767
3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 75251632
(2S)-3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 46911827
2-[2-amino-2-(4-methoxyphenyl)ethyl]pyridazin-3-one
CID 62849597
2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine
CID 117245021
2-(4-methoxyphenyl)-2-pyrimidin-2-ylethanamine
CID 82040389
1-(4-methoxyphenyl)-1-pyrazol-1-ylbutan-2-amine
CID 55015477

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-pyrazol-1-ylpropan-1-amine?
The IUPAC name of 2-(4-methoxyphenyl)-3-pyrazol-1-ylpropan-1-amine (CID 115038406) is 2-(4-methoxyphenyl)-3-pyrazol-1-ylpropan-1-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-pyrazol-1-ylpropan-1-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-3-pyrazol-1-ylpropan-1-amine is COc1ccc(C(CN)Cn2cccn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-pyrazol-1-ylpropan-1-amine?
The InChIKey is QFNRKWSEPVCWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-17-13-5-3-11(4-6-13)12(9-14)10-16-8-2-7-15-16/h2-8,12H,9-10,14H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-3-pyrazol-1-ylpropan-1-amine?
2-(4-methoxyphenyl)-3-pyrazol-1-ylpropan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-pyrazol-1-ylpropan-1-amine is sourced from PubChem (CID 115038406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).