1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-N-methylpropan-1-amine

C17H31N3 — CID 82698034

IUPAC1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-N-methylpropan-1-amine
SMILESCCc1nn(C2CCCCC2)c(CC)c1C(CC)NC
InChIInChI=1S/C17H31N3/c1-5-14(18-4)17-15(6-2)19-20(16(17)7-3)13-11-9-8-10-12-13/h13-14,18H,5-12H2,1-4H3
InChIKeyQIFSHASBSIMPGI-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.18
Rot. Bonds6

About 1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-N-methylpropan-1-amine

1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-N-methylpropan-1-amine (PubChem CID 82698034) 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)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-N-methylpropan-1-amine
PubChem CID82698034
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-N-methylpropan-1-amine
SMILESCCc1nn(C2CCCCC2)c(CC)c1C(CC)NC
InChIInChI=1S/C17H31N3/c1-5-14(18-4)17-15(6-2)19-20(16(17)7-3)13-11-9-8-10-12-13/h13-14,18H,5-12H2,1-4H3
InChIKeyQIFSHASBSIMPGI-UHFFFAOYSA-N
XLogP4.18
TPSA29.85 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 ≤ 54.18
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)-N-methylpropan-1-amine?
The IUPAC name of 1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-N-methylpropan-1-amine (CID 82698034) is 1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-N-methylpropan-1-amine is CCc1nn(C2CCCCC2)c(CC)c1C(CC)NC.
What is the InChIKey of 1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-N-methylpropan-1-amine?
The InChIKey is QIFSHASBSIMPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-14(18-4)17-15(6-2)19-20(16(17)7-3)13-11-9-8-10-12-13/h13-14,18H,5-12H2,1-4H3.
What are the key properties of 1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-N-methylpropan-1-amine?
1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-N-methylpropan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 4.18, 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)-N-methylpropan-1-amine is sourced from PubChem (CID 82698034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).