1-(1-propan-2-ylpyrazol-3-yl)-3-propoxy-N-propylpropan-2-amine

C15H29N3O — CID 64771213

IUPAC1-(1-propan-2-ylpyrazol-3-yl)-3-propoxy-N-propylpropan-2-amine
SMILESCCCNC(COCCC)Cc1ccn(C(C)C)n1
InChIInChI=1S/C15H29N3O/c1-5-8-16-15(12-19-10-6-2)11-14-7-9-18(17-14)13(3)4/h7,9,13,15-16H,5-6,8,10-12H2,1-4H3
InChIKeyUIAJSWXFMFHCQD-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.80
Rot. Bonds10

About 1-(1-propan-2-ylpyrazol-3-yl)-3-propoxy-N-propylpropan-2-amine

1-(1-propan-2-ylpyrazol-3-yl)-3-propoxy-N-propylpropan-2-amine (PubChem CID 64771213) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(1-propan-2-ylpyrazol-3-yl)-3-propoxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(1-propan-2-ylpyrazol-3-yl)-3-propoxy-N-propylpropan-2-amine
PubChem CID64771213
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-(1-propan-2-ylpyrazol-3-yl)-3-propoxy-N-propylpropan-2-amine
SMILESCCCNC(COCCC)Cc1ccn(C(C)C)n1
InChIInChI=1S/C15H29N3O/c1-5-8-16-15(12-19-10-6-2)11-14-7-9-18(17-14)13(3)4/h7,9,13,15-16H,5-6,8,10-12H2,1-4H3
InChIKeyUIAJSWXFMFHCQD-UHFFFAOYSA-N
XLogP2.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64771198
1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778795
1-(1-butan-2-ylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777222
3-methoxy-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 116720670
4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779388
N-[2-(1-propan-2-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
CID 104990204
4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylhexan-2-amine
CID 104991789
1-(1-ethylimidazol-2-yl)-3-propoxy-N-propylpropan-2-amine
CID 79752808
1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546820
N-[1-(3-methylcyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine
CID 65412777
N-ethyl-4-methylsulfanyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 105154886
N-propan-2-yl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]propan-1-amine
CID 64771673

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpyrazol-3-yl)-3-propoxy-N-propylpropan-2-amine?
The IUPAC name of 1-(1-propan-2-ylpyrazol-3-yl)-3-propoxy-N-propylpropan-2-amine (CID 64771213) is 1-(1-propan-2-ylpyrazol-3-yl)-3-propoxy-N-propylpropan-2-amine.
What is the SMILES notation for 1-(1-propan-2-ylpyrazol-3-yl)-3-propoxy-N-propylpropan-2-amine?
The canonical SMILES for 1-(1-propan-2-ylpyrazol-3-yl)-3-propoxy-N-propylpropan-2-amine is CCCNC(COCCC)Cc1ccn(C(C)C)n1.
What is the InChIKey of 1-(1-propan-2-ylpyrazol-3-yl)-3-propoxy-N-propylpropan-2-amine?
The InChIKey is UIAJSWXFMFHCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-5-8-16-15(12-19-10-6-2)11-14-7-9-18(17-14)13(3)4/h7,9,13,15-16H,5-6,8,10-12H2,1-4H3.
What are the key properties of 1-(1-propan-2-ylpyrazol-3-yl)-3-propoxy-N-propylpropan-2-amine?
1-(1-propan-2-ylpyrazol-3-yl)-3-propoxy-N-propylpropan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 2.80, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpyrazol-3-yl)-3-propoxy-N-propylpropan-2-amine is sourced from PubChem (CID 64771213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).