3-(1-benzyl-5-methoxypyrazol-4-yl)propan-1-amine

C14H19N3O — CID 115069221

IUPAC3-(1-benzyl-5-methoxypyrazol-4-yl)propan-1-amine
SMILESCOc1c(CCCN)cnn1Cc1ccccc1
InChIInChI=1S/C14H19N3O/c1-18-14-13(8-5-9-15)10-16-17(14)11-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,11,15H2,1H3
InChIKeyLNEGERZPEMXKBP-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.83
Rot. Bonds6

About 3-(1-benzyl-5-methoxypyrazol-4-yl)propan-1-amine

3-(1-benzyl-5-methoxypyrazol-4-yl)propan-1-amine (PubChem CID 115069221) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-(1-benzyl-5-methoxypyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-benzyl-5-methoxypyrazol-4-yl)propan-1-amine
PubChem CID115069221
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-(1-benzyl-5-methoxypyrazol-4-yl)propan-1-amine
SMILESCOc1c(CCCN)cnn1Cc1ccccc1
InChIInChI=1S/C14H19N3O/c1-18-14-13(8-5-9-15)10-16-17(14)11-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,11,15H2,1H3
InChIKeyLNEGERZPEMXKBP-UHFFFAOYSA-N
XLogP1.83
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-5-methoxypyrazol-4-yl)propan-1-amine?
The IUPAC name of 3-(1-benzyl-5-methoxypyrazol-4-yl)propan-1-amine (CID 115069221) is 3-(1-benzyl-5-methoxypyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(1-benzyl-5-methoxypyrazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(1-benzyl-5-methoxypyrazol-4-yl)propan-1-amine is COc1c(CCCN)cnn1Cc1ccccc1.
What is the InChIKey of 3-(1-benzyl-5-methoxypyrazol-4-yl)propan-1-amine?
The InChIKey is LNEGERZPEMXKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-18-14-13(8-5-9-15)10-16-17(14)11-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,11,15H2,1H3.
What are the key properties of 3-(1-benzyl-5-methoxypyrazol-4-yl)propan-1-amine?
3-(1-benzyl-5-methoxypyrazol-4-yl)propan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-5-methoxypyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 115069221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).