1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)butan-2-amine

C17H31N3 — CID 82700380

IUPAC1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)butan-2-amine
SMILESCCc1nn(C2CCCCC2)c(CC)c1CC(N)CC
InChIInChI=1S/C17H31N3/c1-4-13(18)12-15-16(5-2)19-20(17(15)6-3)14-10-8-7-9-11-14/h13-14H,4-12,18H2,1-3H3
InChIKeyUSRVLAUWCUFMDD-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.79
Rot. Bonds6

About 1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)butan-2-amine

1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)butan-2-amine (PubChem CID 82700380) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)butan-2-amine
PubChem CID82700380
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)butan-2-amine
SMILESCCc1nn(C2CCCCC2)c(CC)c1CC(N)CC
InChIInChI=1S/C17H31N3/c1-4-13(18)12-15-16(5-2)19-20(17(15)6-3)14-10-8-7-9-11-14/h13-14H,4-12,18H2,1-3H3
InChIKeyUSRVLAUWCUFMDD-UHFFFAOYSA-N
XLogP3.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)butan-2-amine?
The IUPAC name of 1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)butan-2-amine (CID 82700380) is 1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)butan-2-amine.
What is the SMILES notation for 1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)butan-2-amine?
The canonical SMILES for 1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)butan-2-amine is CCc1nn(C2CCCCC2)c(CC)c1CC(N)CC.
What is the InChIKey of 1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)butan-2-amine?
The InChIKey is USRVLAUWCUFMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-13(18)12-15-16(5-2)19-20(17(15)6-3)14-10-8-7-9-11-14/h13-14H,4-12,18H2,1-3H3.
What are the key properties of 1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)butan-2-amine?
1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)butan-2-amine has a molecular weight of 277.46 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)butan-2-amine is sourced from PubChem (CID 82700380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).