3-methyl-2-(3-methylbutan-2-yl)-1,3-dihydropyrazole

C9H18N2 — CID 175944443

IUPAC3-methyl-2-(3-methylbutan-2-yl)-1,3-dihydropyrazole
SMILESCC(C)C(C)N1NC=CC1C
InChIInChI=1S/C9H18N2/c1-7(2)9(4)11-8(3)5-6-10-11/h5-10H,1-4H3
InChIKeyOAAYBCRNHVSOFQ-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.75
Rot. Bonds2

About 3-methyl-2-(3-methylbutan-2-yl)-1,3-dihydropyrazole

3-methyl-2-(3-methylbutan-2-yl)-1,3-dihydropyrazole (PubChem CID 175944443) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-methyl-2-(3-methylbutan-2-yl)-1,3-dihydropyrazole.

Molecular Properties

Compound Name3-methyl-2-(3-methylbutan-2-yl)-1,3-dihydropyrazole
PubChem CID175944443
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-methyl-2-(3-methylbutan-2-yl)-1,3-dihydropyrazole
SMILESCC(C)C(C)N1NC=CC1C
InChIInChI=1S/C9H18N2/c1-7(2)9(4)11-8(3)5-6-10-11/h5-10H,1-4H3
InChIKeyOAAYBCRNHVSOFQ-UHFFFAOYSA-N
XLogP1.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methylbutan-2-yl)-1,3-dihydropyrazole?
The IUPAC name of 3-methyl-2-(3-methylbutan-2-yl)-1,3-dihydropyrazole (CID 175944443) is 3-methyl-2-(3-methylbutan-2-yl)-1,3-dihydropyrazole.
What is the SMILES notation for 3-methyl-2-(3-methylbutan-2-yl)-1,3-dihydropyrazole?
The canonical SMILES for 3-methyl-2-(3-methylbutan-2-yl)-1,3-dihydropyrazole is CC(C)C(C)N1NC=CC1C.
What is the InChIKey of 3-methyl-2-(3-methylbutan-2-yl)-1,3-dihydropyrazole?
The InChIKey is OAAYBCRNHVSOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)9(4)11-8(3)5-6-10-11/h5-10H,1-4H3.
What are the key properties of 3-methyl-2-(3-methylbutan-2-yl)-1,3-dihydropyrazole?
3-methyl-2-(3-methylbutan-2-yl)-1,3-dihydropyrazole has a molecular weight of 154.26 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methylbutan-2-yl)-1,3-dihydropyrazole is sourced from PubChem (CID 175944443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).