3-butan-2-yl-2-methyl-1,5-dihydropyrazole

C8H16N2 — CID 134513687

IUPAC3-butan-2-yl-2-methyl-1,5-dihydropyrazole
SMILESCCC(C)C1=CCNN1C
InChIInChI=1S/C8H16N2/c1-4-7(2)8-5-6-9-10(8)3/h5,7,9H,4,6H2,1-3H3
InChIKeyYCYSSLPFJNQZJC-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.37
Rot. Bonds2

About 3-butan-2-yl-2-methyl-1,5-dihydropyrazole

3-butan-2-yl-2-methyl-1,5-dihydropyrazole (PubChem CID 134513687) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-butan-2-yl-2-methyl-1,5-dihydropyrazole.

Molecular Properties

Compound Name3-butan-2-yl-2-methyl-1,5-dihydropyrazole
PubChem CID134513687
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-butan-2-yl-2-methyl-1,5-dihydropyrazole
SMILESCCC(C)C1=CCNN1C
InChIInChI=1S/C8H16N2/c1-4-7(2)8-5-6-9-10(8)3/h5,7,9H,4,6H2,1-3H3
InChIKeyYCYSSLPFJNQZJC-UHFFFAOYSA-N
XLogP1.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2-methyl-1,5-dihydropyrazole?
The IUPAC name of 3-butan-2-yl-2-methyl-1,5-dihydropyrazole (CID 134513687) is 3-butan-2-yl-2-methyl-1,5-dihydropyrazole.
What is the SMILES notation for 3-butan-2-yl-2-methyl-1,5-dihydropyrazole?
The canonical SMILES for 3-butan-2-yl-2-methyl-1,5-dihydropyrazole is CCC(C)C1=CCNN1C.
What is the InChIKey of 3-butan-2-yl-2-methyl-1,5-dihydropyrazole?
The InChIKey is YCYSSLPFJNQZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-7(2)8-5-6-9-10(8)3/h5,7,9H,4,6H2,1-3H3.
What are the key properties of 3-butan-2-yl-2-methyl-1,5-dihydropyrazole?
3-butan-2-yl-2-methyl-1,5-dihydropyrazole has a molecular weight of 140.23 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2-methyl-1,5-dihydropyrazole is sourced from PubChem (CID 134513687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).