3-(1-butan-2-ylpyrazol-3-yl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine

C15H27N3O — CID 116722385

IUPAC3-(1-butan-2-ylpyrazol-3-yl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine
SMILESCCC(C)n1ccc(CC(NC)C(OC)C2CC2)n1
InChIInChI=1S/C15H27N3O/c1-5-11(2)18-9-8-13(17-18)10-14(16-3)15(19-4)12-6-7-12/h8-9,11-12,14-16H,5-7,10H2,1-4H3
InChIKeyQAOWPNXYMWHXDH-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.41
Rot. Bonds8

About 3-(1-butan-2-ylpyrazol-3-yl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine

3-(1-butan-2-ylpyrazol-3-yl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine (PubChem CID 116722385) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(1-butan-2-ylpyrazol-3-yl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name3-(1-butan-2-ylpyrazol-3-yl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine
PubChem CID116722385
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-(1-butan-2-ylpyrazol-3-yl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine
SMILESCCC(C)n1ccc(CC(NC)C(OC)C2CC2)n1
InChIInChI=1S/C15H27N3O/c1-5-11(2)18-9-8-13(17-18)10-14(16-3)15(19-4)12-6-7-12/h8-9,11-12,14-16H,5-7,10H2,1-4H3
InChIKeyQAOWPNXYMWHXDH-UHFFFAOYSA-N
XLogP2.41
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1-butan-2-ylpyrazol-3-yl)-3-cyclopropylbutan-2-yl]hydrazine
CID 105312549
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-3-methoxypentan-2-amine
CID 116715887
1-(1-butan-2-ylpyrazol-3-yl)-3-ethyl-N-methylheptan-2-amine
CID 104989714
1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine
CID 103546818
[1-(1-butan-2-ylpyrazol-3-yl)-3-methoxyhexan-2-yl]hydrazine
CID 105271794
3-methoxy-N-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
CID 116715598
1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-N-propylhexan-2-amine
CID 116719573
3-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,4-dimethylpentan-2-amine
CID 64786150
[2-(1-butan-2-ylpyrazol-3-yl)-1-cyclooctylethyl]hydrazine
CID 105255154
[3-(1-cyclopentylpyrazol-3-yl)-1-cyclopropyl-1-methoxypropan-2-yl]hydrazine
CID 105272726
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine
CID 64777420
1-cyclopropyl-1-methoxy-N-methyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 116722205

Frequently Asked Questions

What is the IUPAC name of 3-(1-butan-2-ylpyrazol-3-yl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine?
The IUPAC name of 3-(1-butan-2-ylpyrazol-3-yl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine (CID 116722385) is 3-(1-butan-2-ylpyrazol-3-yl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 3-(1-butan-2-ylpyrazol-3-yl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 3-(1-butan-2-ylpyrazol-3-yl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine is CCC(C)n1ccc(CC(NC)C(OC)C2CC2)n1.
What is the InChIKey of 3-(1-butan-2-ylpyrazol-3-yl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine?
The InChIKey is QAOWPNXYMWHXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-11(2)18-9-8-13(17-18)10-14(16-3)15(19-4)12-6-7-12/h8-9,11-12,14-16H,5-7,10H2,1-4H3.
What are the key properties of 3-(1-butan-2-ylpyrazol-3-yl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine?
3-(1-butan-2-ylpyrazol-3-yl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butan-2-ylpyrazol-3-yl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 116722385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).