1,3-diethyl-5-propan-2-ylpyrazole

C10H18N2 — CID 118564106

IUPAC1,3-diethyl-5-propan-2-ylpyrazole
SMILESCCc1cc(C(C)C)n(CC)n1
InChIInChI=1S/C10H18N2/c1-5-9-7-10(8(3)4)12(6-2)11-9/h7-8H,5-6H2,1-4H3
InChIKeyRRUHLZJGNSOUBX-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.59
Rot. Bonds3

About 1,3-diethyl-5-propan-2-ylpyrazole

1,3-diethyl-5-propan-2-ylpyrazole (PubChem CID 118564106) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1,3-diethyl-5-propan-2-ylpyrazole.

Molecular Properties

Compound Name1,3-diethyl-5-propan-2-ylpyrazole
PubChem CID118564106
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1,3-diethyl-5-propan-2-ylpyrazole
SMILESCCc1cc(C(C)C)n(CC)n1
InChIInChI=1S/C10H18N2/c1-5-9-7-10(8(3)4)12(6-2)11-9/h7-8H,5-6H2,1-4H3
InChIKeyRRUHLZJGNSOUBX-UHFFFAOYSA-N
XLogP2.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133593
1-(1-ethyl-5-propan-2-ylpyrazol-3-yl)-N-methylpropan-2-amine
CID 105463537
1-(1,3-diethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine
CID 105082907
1-(1,3-diethylpyrazol-5-yl)prop-2-en-1-amine
CID 105161142
cyclopropyl-(1,3-diethylpyrazol-5-yl)methanamine
CID 105157155
1-(1,3-diethylpyrazol-5-yl)prop-2-enylhydrazine
CID 105318016
1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 105103405
1-(1,3-diethylpyrazol-5-yl)-5-methyl-N-propylhexan-1-amine
CID 105177082
1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105154827
(1,3-diethylpyrazol-5-yl)-(4-methylcyclohexyl)methanol
CID 105102592
1-(1,3-diethylpyrazol-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 105117842
2-(4-bromophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105077466

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-propan-2-ylpyrazole?
The IUPAC name of 1,3-diethyl-5-propan-2-ylpyrazole (CID 118564106) is 1,3-diethyl-5-propan-2-ylpyrazole.
What is the SMILES notation for 1,3-diethyl-5-propan-2-ylpyrazole?
The canonical SMILES for 1,3-diethyl-5-propan-2-ylpyrazole is CCc1cc(C(C)C)n(CC)n1.
What is the InChIKey of 1,3-diethyl-5-propan-2-ylpyrazole?
The InChIKey is RRUHLZJGNSOUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-9-7-10(8(3)4)12(6-2)11-9/h7-8H,5-6H2,1-4H3.
What are the key properties of 1,3-diethyl-5-propan-2-ylpyrazole?
1,3-diethyl-5-propan-2-ylpyrazole has a molecular weight of 166.27 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-propan-2-ylpyrazole is sourced from PubChem (CID 118564106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).