3-methyl-2-(5-methylhexan-2-yl)-1,3-dihydropyrazole

C11H22N2 — CID 175944424

IUPAC3-methyl-2-(5-methylhexan-2-yl)-1,3-dihydropyrazole
SMILESCC(C)CCC(C)N1NC=CC1C
InChIInChI=1S/C11H22N2/c1-9(2)5-6-10(3)13-11(4)7-8-12-13/h7-12H,5-6H2,1-4H3
InChIKeyLQKDJKRUZXTAML-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.53
Rot. Bonds4

About 3-methyl-2-(5-methylhexan-2-yl)-1,3-dihydropyrazole

3-methyl-2-(5-methylhexan-2-yl)-1,3-dihydropyrazole (PubChem CID 175944424) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-methyl-2-(5-methylhexan-2-yl)-1,3-dihydropyrazole.

Molecular Properties

Compound Name3-methyl-2-(5-methylhexan-2-yl)-1,3-dihydropyrazole
PubChem CID175944424
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-methyl-2-(5-methylhexan-2-yl)-1,3-dihydropyrazole
SMILESCC(C)CCC(C)N1NC=CC1C
InChIInChI=1S/C11H22N2/c1-9(2)5-6-10(3)13-11(4)7-8-12-13/h7-12H,5-6H2,1-4H3
InChIKeyLQKDJKRUZXTAML-UHFFFAOYSA-N
XLogP2.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(5-methylhexan-2-yl)-1,3-dihydropyrazole?
The IUPAC name of 3-methyl-2-(5-methylhexan-2-yl)-1,3-dihydropyrazole (CID 175944424) is 3-methyl-2-(5-methylhexan-2-yl)-1,3-dihydropyrazole.
What is the SMILES notation for 3-methyl-2-(5-methylhexan-2-yl)-1,3-dihydropyrazole?
The canonical SMILES for 3-methyl-2-(5-methylhexan-2-yl)-1,3-dihydropyrazole is CC(C)CCC(C)N1NC=CC1C.
What is the InChIKey of 3-methyl-2-(5-methylhexan-2-yl)-1,3-dihydropyrazole?
The InChIKey is LQKDJKRUZXTAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)5-6-10(3)13-11(4)7-8-12-13/h7-12H,5-6H2,1-4H3.
What are the key properties of 3-methyl-2-(5-methylhexan-2-yl)-1,3-dihydropyrazole?
3-methyl-2-(5-methylhexan-2-yl)-1,3-dihydropyrazole has a molecular weight of 182.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(5-methylhexan-2-yl)-1,3-dihydropyrazole is sourced from PubChem (CID 175944424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).