2-benzyl-3-(1-methylpyrazol-3-yl)propan-1-amine

C14H19N3 — CID 82877755

IUPAC2-benzyl-3-(1-methylpyrazol-3-yl)propan-1-amine
SMILESCn1ccc(CC(CN)Cc2ccccc2)n1
InChIInChI=1S/C14H19N3/c1-17-8-7-14(16-17)10-13(11-15)9-12-5-3-2-4-6-12/h2-8,13H,9-11,15H2,1H3
InChIKeyQGHPNGBXYOGSBL-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.78
Rot. Bonds5

About 2-benzyl-3-(1-methylpyrazol-3-yl)propan-1-amine

2-benzyl-3-(1-methylpyrazol-3-yl)propan-1-amine (PubChem CID 82877755) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-benzyl-3-(1-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-benzyl-3-(1-methylpyrazol-3-yl)propan-1-amine
PubChem CID82877755
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-benzyl-3-(1-methylpyrazol-3-yl)propan-1-amine
SMILESCn1ccc(CC(CN)Cc2ccccc2)n1
InChIInChI=1S/C14H19N3/c1-17-8-7-14(16-17)10-13(11-15)9-12-5-3-2-4-6-12/h2-8,13H,9-11,15H2,1H3
InChIKeyQGHPNGBXYOGSBL-UHFFFAOYSA-N
XLogP1.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-3-phenylpropan-1-amine;hydrochloride
CID 75481010
2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 112562653
3-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82878052
[2-(1-methylpyrazol-3-yl)-1-phenylethyl]hydrazine
CID 105199243
2-[(3-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64773193
2-(2-chlorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82872011
2-benzyl-3-(4-methylphenyl)propan-1-amine
CID 62504695
(2R)-2-benzylbutan-1-amine
CID 42325983
1-chloro-N-[(1-methylpyrazol-3-yl)methyl]-3-phenylpropan-2-amine
CID 82872231
2-benzyl-N',N'-dimethylpropane-1,3-diamine
CID 23008665
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 64779066
2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propan-1-ol
CID 82871625

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(1-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 2-benzyl-3-(1-methylpyrazol-3-yl)propan-1-amine (CID 82877755) is 2-benzyl-3-(1-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-benzyl-3-(1-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 2-benzyl-3-(1-methylpyrazol-3-yl)propan-1-amine is Cn1ccc(CC(CN)Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-3-(1-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is QGHPNGBXYOGSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-17-8-7-14(16-17)10-13(11-15)9-12-5-3-2-4-6-12/h2-8,13H,9-11,15H2,1H3.
What are the key properties of 2-benzyl-3-(1-methylpyrazol-3-yl)propan-1-amine?
2-benzyl-3-(1-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(1-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 82877755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).