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

C8H15N3O — CID 82876471

IUPAC1-methoxy-3-(1-methylpyrazol-3-yl)propan-2-amine
SMILESCOCC(N)Cc1ccn(C)n1
InChIInChI=1S/C8H15N3O/c1-11-4-3-8(10-11)5-7(9)6-12-2/h3-4,7H,5-6,9H2,1-2H3
InChIKeyDFBPIHZWMWRSBL-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.06
Rot. Bonds4

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

1-methoxy-3-(1-methylpyrazol-3-yl)propan-2-amine (PubChem CID 82876471) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-methoxy-3-(1-methylpyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-(1-methylpyrazol-3-yl)propan-2-amine
PubChem CID82876471
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-methoxy-3-(1-methylpyrazol-3-yl)propan-2-amine
SMILESCOCC(N)Cc1ccn(C)n1
InChIInChI=1S/C8H15N3O/c1-11-4-3-8(10-11)5-7(9)6-12-2/h3-4,7H,5-6,9H2,1-2H3
InChIKeyDFBPIHZWMWRSBL-UHFFFAOYSA-N
XLogP-0.06
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-N-methyl-1-N-[(1-methylpyrazol-3-yl)methyl]propane-1,2-diamine
CID 82870860
1-methoxy-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876638
1-cyclopropyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876061
1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine
CID 64779791
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-amine
CID 82870753
4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine
CID 82868697
1-(1-methylpyrazol-3-yl)hexan-3-amine
CID 82869047
[3-methoxy-1-(1-methylpyrazol-3-yl)pentan-2-yl]hydrazine
CID 105270657
2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 112562653
4,4,4-trifluoro-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312218
1-(2-bromophenyl)sulfanyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876530
3-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82878052

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(1-methylpyrazol-3-yl)propan-2-amine?
The IUPAC name of 1-methoxy-3-(1-methylpyrazol-3-yl)propan-2-amine (CID 82876471) is 1-methoxy-3-(1-methylpyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-methoxy-3-(1-methylpyrazol-3-yl)propan-2-amine?
The canonical SMILES for 1-methoxy-3-(1-methylpyrazol-3-yl)propan-2-amine is COCC(N)Cc1ccn(C)n1.
What is the InChIKey of 1-methoxy-3-(1-methylpyrazol-3-yl)propan-2-amine?
The InChIKey is DFBPIHZWMWRSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-11-4-3-8(10-11)5-7(9)6-12-2/h3-4,7H,5-6,9H2,1-2H3.
What are the key properties of 1-methoxy-3-(1-methylpyrazol-3-yl)propan-2-amine?
1-methoxy-3-(1-methylpyrazol-3-yl)propan-2-amine has a molecular weight of 169.23 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(1-methylpyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 82876471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).