1-cycloheptyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine

C18H33N3 — CID 104991829

IUPAC1-cycloheptyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
SMILESCCC(CC)n1ccc(CC(N)CC2CCCCCC2)n1
InChIInChI=1S/C18H33N3/c1-3-18(4-2)21-12-11-17(20-21)14-16(19)13-15-9-7-5-6-8-10-15/h11-12,15-16,18H,3-10,13-14,19H2,1-2H3
InChIKeyHAMOLDIAKFEDTI-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.47
Rot. Bonds7

About 1-cycloheptyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine

1-cycloheptyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine (PubChem CID 104991829) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-cycloheptyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
PubChem CID104991829
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name1-cycloheptyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
SMILESCCC(CC)n1ccc(CC(N)CC2CCCCCC2)n1
InChIInChI=1S/C18H33N3/c1-3-18(4-2)21-12-11-17(20-21)14-16(19)13-15-9-7-5-6-8-10-15/h11-12,15-16,18H,3-10,13-14,19H2,1-2H3
InChIKeyHAMOLDIAKFEDTI-UHFFFAOYSA-N
XLogP4.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 104991709
1-(1-pentan-3-ylpyrazol-3-yl)-3-(thian-4-yl)propan-2-amine
CID 105155729
[1-cyclohexyl-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]hydrazine
CID 105201952
1-cyclopropyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876061
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
1-(oxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991809
[1-cyclopentylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105227639
[1-(6-bicyclo[3.1.0]hexanyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]hydrazine
CID 105313440
(1S)-1-cyclohexyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 81384939
[1-(oxan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]hydrazine
CID 105230091
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
1-(6-bicyclo[3.1.0]hexanyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 115807875

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
The IUPAC name of 1-cycloheptyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine (CID 104991829) is 1-cycloheptyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-cycloheptyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
The canonical SMILES for 1-cycloheptyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine is CCC(CC)n1ccc(CC(N)CC2CCCCCC2)n1.
What is the InChIKey of 1-cycloheptyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
The InChIKey is HAMOLDIAKFEDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-3-18(4-2)21-12-11-17(20-21)14-16(19)13-15-9-7-5-6-8-10-15/h11-12,15-16,18H,3-10,13-14,19H2,1-2H3.
What are the key properties of 1-cycloheptyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
1-cycloheptyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 104991829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).