3-ethyl-4-(3-methylbutyl)-2,3-dihydro-1H-pyrazole

C10H20N2 — CID 167309555

IUPAC3-ethyl-4-(3-methylbutyl)-2,3-dihydro-1H-pyrazole
SMILESCCC1NNC=C1CCC(C)C
InChIInChI=1S/C10H20N2/c1-4-10-9(7-11-12-10)6-5-8(2)3/h7-8,10-12H,4-6H2,1-3H3
InChIKeyVLHYKOWDDAFJPW-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.19
Rot. Bonds4

About 3-ethyl-4-(3-methylbutyl)-2,3-dihydro-1H-pyrazole

3-ethyl-4-(3-methylbutyl)-2,3-dihydro-1H-pyrazole (PubChem CID 167309555) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-ethyl-4-(3-methylbutyl)-2,3-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-ethyl-4-(3-methylbutyl)-2,3-dihydro-1H-pyrazole
PubChem CID167309555
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3-ethyl-4-(3-methylbutyl)-2,3-dihydro-1H-pyrazole
SMILESCCC1NNC=C1CCC(C)C
InChIInChI=1S/C10H20N2/c1-4-10-9(7-11-12-10)6-5-8(2)3/h7-8,10-12H,4-6H2,1-3H3
InChIKeyVLHYKOWDDAFJPW-UHFFFAOYSA-N
XLogP2.19
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(3-methylbutyl)-2,3-dihydro-1H-pyrazole?
The IUPAC name of 3-ethyl-4-(3-methylbutyl)-2,3-dihydro-1H-pyrazole (CID 167309555) is 3-ethyl-4-(3-methylbutyl)-2,3-dihydro-1H-pyrazole.
What is the SMILES notation for 3-ethyl-4-(3-methylbutyl)-2,3-dihydro-1H-pyrazole?
The canonical SMILES for 3-ethyl-4-(3-methylbutyl)-2,3-dihydro-1H-pyrazole is CCC1NNC=C1CCC(C)C.
What is the InChIKey of 3-ethyl-4-(3-methylbutyl)-2,3-dihydro-1H-pyrazole?
The InChIKey is VLHYKOWDDAFJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-10-9(7-11-12-10)6-5-8(2)3/h7-8,10-12H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-4-(3-methylbutyl)-2,3-dihydro-1H-pyrazole?
3-ethyl-4-(3-methylbutyl)-2,3-dihydro-1H-pyrazole has a molecular weight of 168.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(3-methylbutyl)-2,3-dihydro-1H-pyrazole is sourced from PubChem (CID 167309555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).