3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-propylbutan-2-amine

C15H27N3 — CID 115822934

IUPAC3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1cnn(CC)c1)C(C)C1CC1
InChIInChI=1S/C15H27N3/c1-4-8-16-15(12(3)14-6-7-14)9-13-10-17-18(5-2)11-13/h10-12,14-16H,4-9H2,1-3H3
InChIKeyRRXYTJSLIZHLFI-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.86
Rot. Bonds8

About 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-propylbutan-2-amine

3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-propylbutan-2-amine (PubChem CID 115822934) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-propylbutan-2-amine
PubChem CID115822934
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1cnn(CC)c1)C(C)C1CC1
InChIInChI=1S/C15H27N3/c1-4-8-16-15(12(3)14-6-7-14)9-13-10-17-18(5-2)11-13/h10-12,14-16H,4-9H2,1-3H3
InChIKeyRRXYTJSLIZHLFI-UHFFFAOYSA-N
XLogP2.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylbutan-2-amine
CID 62125581
N-[1-(4-ethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 65393126
1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 80603195
(1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 81393534
1-(5-bromo-2-pyridinyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 105036506
1-cyclohexyl-1-methoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 116771844
2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115622207
1-(1-ethylpyrazol-4-yl)-N-propyldecan-2-amine
CID 115822163
N-[2-(1-ethylpyrazol-4-yl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105114689
N-[1-(1-ethylcyclopentyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115822846
1-(3-chloro-4-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 103043171
2-(1-ethylpyrazol-4-yl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 65334757

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-propylbutan-2-amine?
The IUPAC name of 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-propylbutan-2-amine (CID 115822934) is 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-propylbutan-2-amine?
The canonical SMILES for 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-propylbutan-2-amine is CCCNC(Cc1cnn(CC)c1)C(C)C1CC1.
What is the InChIKey of 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-propylbutan-2-amine?
The InChIKey is RRXYTJSLIZHLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-8-16-15(12(3)14-6-7-14)9-13-10-17-18(5-2)11-13/h10-12,14-16H,4-9H2,1-3H3.
What are the key properties of 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-propylbutan-2-amine?
3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-propylbutan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 115822934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).