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

C9H18N2 — CID 118581486

IUPAC5-methyl-4-(2-methylbutyl)-2,3-dihydro-1H-pyrazole
SMILESCCC(C)CC1=C(C)NNC1
InChIInChI=1S/C9H18N2/c1-4-7(2)5-9-6-10-11-8(9)3/h7,10-11H,4-6H2,1-3H3
InChIKeyJVKPONKLCJAKMD-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.80
Rot. Bonds3

About 5-methyl-4-(2-methylbutyl)-2,3-dihydro-1H-pyrazole

5-methyl-4-(2-methylbutyl)-2,3-dihydro-1H-pyrazole (PubChem CID 118581486) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 5-methyl-4-(2-methylbutyl)-2,3-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-4-(2-methylbutyl)-2,3-dihydro-1H-pyrazole
PubChem CID118581486
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name5-methyl-4-(2-methylbutyl)-2,3-dihydro-1H-pyrazole
SMILESCCC(C)CC1=C(C)NNC1
InChIInChI=1S/C9H18N2/c1-4-7(2)5-9-6-10-11-8(9)3/h7,10-11H,4-6H2,1-3H3
InChIKeyJVKPONKLCJAKMD-UHFFFAOYSA-N
XLogP1.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methylbutyl)-2,3-dihydro-1H-pyrazole?
The IUPAC name of 5-methyl-4-(2-methylbutyl)-2,3-dihydro-1H-pyrazole (CID 118581486) is 5-methyl-4-(2-methylbutyl)-2,3-dihydro-1H-pyrazole.
What is the SMILES notation for 5-methyl-4-(2-methylbutyl)-2,3-dihydro-1H-pyrazole?
The canonical SMILES for 5-methyl-4-(2-methylbutyl)-2,3-dihydro-1H-pyrazole is CCC(C)CC1=C(C)NNC1.
What is the InChIKey of 5-methyl-4-(2-methylbutyl)-2,3-dihydro-1H-pyrazole?
The InChIKey is JVKPONKLCJAKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-7(2)5-9-6-10-11-8(9)3/h7,10-11H,4-6H2,1-3H3.
What are the key properties of 5-methyl-4-(2-methylbutyl)-2,3-dihydro-1H-pyrazole?
5-methyl-4-(2-methylbutyl)-2,3-dihydro-1H-pyrazole has a molecular weight of 154.26 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methylbutyl)-2,3-dihydro-1H-pyrazole is sourced from PubChem (CID 118581486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).