(1S)-1-(2-methylpyrazol-3-yl)-N-[(6-propoxy-3-pyridinyl)methyl]ethanamine

C15H22N4O — CID 164630668

IUPAC(1S)-1-(2-methylpyrazol-3-yl)-N-[(6-propoxy-3-pyridinyl)methyl]ethanamine
SMILESCCCOc1ccc(CN[C@@H](C)c2ccnn2C)cn1
InChIInChI=1S/C15H22N4O/c1-4-9-20-15-6-5-13(11-17-15)10-16-12(2)14-7-8-18-19(14)3/h5-8,11-12,16H,4,9-10H2,1-3H3/t12-/m0/s1
InChIKeyGFOMUKPOFKDFDV-LBPRGKRZSA-N
MW274.37 g/mol
LogP2.45
Rot. Bonds7

About (1S)-1-(2-methylpyrazol-3-yl)-N-[(6-propoxy-3-pyridinyl)methyl]ethanamine

(1S)-1-(2-methylpyrazol-3-yl)-N-[(6-propoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 164630668) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is (1S)-1-(2-methylpyrazol-3-yl)-N-[(6-propoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-methylpyrazol-3-yl)-N-[(6-propoxy-3-pyridinyl)methyl]ethanamine
PubChem CID164630668
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name(1S)-1-(2-methylpyrazol-3-yl)-N-[(6-propoxy-3-pyridinyl)methyl]ethanamine
SMILESCCCOc1ccc(CN[C@@H](C)c2ccnn2C)cn1
InChIInChI=1S/C15H22N4O/c1-4-9-20-15-6-5-13(11-17-15)10-16-12(2)14-7-8-18-19(14)3/h5-8,11-12,16H,4,9-10H2,1-3H3/t12-/m0/s1
InChIKeyGFOMUKPOFKDFDV-LBPRGKRZSA-N
XLogP2.45
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-(2-methylpyrazol-3-yl)-N-[(6-propoxy-3-pyridinyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methylpyrazol-3-yl)-N-[(6-propoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(2-methylpyrazol-3-yl)-N-[(6-propoxy-3-pyridinyl)methyl]ethanamine (CID 164630668) is (1S)-1-(2-methylpyrazol-3-yl)-N-[(6-propoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-methylpyrazol-3-yl)-N-[(6-propoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(2-methylpyrazol-3-yl)-N-[(6-propoxy-3-pyridinyl)methyl]ethanamine is CCCOc1ccc(CN[C@@H](C)c2ccnn2C)cn1.
What is the InChIKey of (1S)-1-(2-methylpyrazol-3-yl)-N-[(6-propoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is GFOMUKPOFKDFDV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-9-20-15-6-5-13(11-17-15)10-16-12(2)14-7-8-18-19(14)3/h5-8,11-12,16H,4,9-10H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-1-(2-methylpyrazol-3-yl)-N-[(6-propoxy-3-pyridinyl)methyl]ethanamine?
(1S)-1-(2-methylpyrazol-3-yl)-N-[(6-propoxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 274.37 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methylpyrazol-3-yl)-N-[(6-propoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 164630668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).