2-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole

C9H18N2 — CID 168928486

IUPAC2-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole
SMILESCC(C)CCC1=CN(C)NC1
InChIInChI=1S/C9H18N2/c1-8(2)4-5-9-6-10-11(3)7-9/h7-8,10H,4-6H2,1-3H3
InChIKeyFNELDSWNGJCWOC-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.76
Rot. Bonds3

About 2-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole

2-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole (PubChem CID 168928486) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole.

Molecular Properties

Compound Name2-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole
PubChem CID168928486
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole
SMILESCC(C)CCC1=CN(C)NC1
InChIInChI=1S/C9H18N2/c1-8(2)4-5-9-6-10-11(3)7-9/h7-8,10H,4-6H2,1-3H3
InChIKeyFNELDSWNGJCWOC-UHFFFAOYSA-N
XLogP1.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole?
The IUPAC name of 2-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole (CID 168928486) is 2-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole.
What is the SMILES notation for 2-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole?
The canonical SMILES for 2-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole is CC(C)CCC1=CN(C)NC1.
What is the InChIKey of 2-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole?
The InChIKey is FNELDSWNGJCWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)4-5-9-6-10-11(3)7-9/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 2-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole?
2-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole has a molecular weight of 154.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylbutyl)-1,5-dihydropyrazole is sourced from PubChem (CID 168928486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).