2,4-dimethyl-3-propan-2-yl-1,3-dihydropyrazole

C8H16N2 — CID 146393146

IUPAC2,4-dimethyl-3-propan-2-yl-1,3-dihydropyrazole
SMILESCC1=CNN(C)C1C(C)C
InChIInChI=1S/C8H16N2/c1-6(2)8-7(3)5-9-10(8)4/h5-6,8-9H,1-4H3
InChIKeyBDSBZIGPQYJJEQ-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.36
Rot. Bonds1

About 2,4-dimethyl-3-propan-2-yl-1,3-dihydropyrazole

2,4-dimethyl-3-propan-2-yl-1,3-dihydropyrazole (PubChem CID 146393146) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2,4-dimethyl-3-propan-2-yl-1,3-dihydropyrazole.

Molecular Properties

Compound Name2,4-dimethyl-3-propan-2-yl-1,3-dihydropyrazole
PubChem CID146393146
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2,4-dimethyl-3-propan-2-yl-1,3-dihydropyrazole
SMILESCC1=CNN(C)C1C(C)C
InChIInChI=1S/C8H16N2/c1-6(2)8-7(3)5-9-10(8)4/h5-6,8-9H,1-4H3
InChIKeyBDSBZIGPQYJJEQ-UHFFFAOYSA-N
XLogP1.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-propan-2-yl-1,3-dihydropyrazole?
The IUPAC name of 2,4-dimethyl-3-propan-2-yl-1,3-dihydropyrazole (CID 146393146) is 2,4-dimethyl-3-propan-2-yl-1,3-dihydropyrazole.
What is the SMILES notation for 2,4-dimethyl-3-propan-2-yl-1,3-dihydropyrazole?
The canonical SMILES for 2,4-dimethyl-3-propan-2-yl-1,3-dihydropyrazole is CC1=CNN(C)C1C(C)C.
What is the InChIKey of 2,4-dimethyl-3-propan-2-yl-1,3-dihydropyrazole?
The InChIKey is BDSBZIGPQYJJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-6(2)8-7(3)5-9-10(8)4/h5-6,8-9H,1-4H3.
What are the key properties of 2,4-dimethyl-3-propan-2-yl-1,3-dihydropyrazole?
2,4-dimethyl-3-propan-2-yl-1,3-dihydropyrazole has a molecular weight of 140.23 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-propan-2-yl-1,3-dihydropyrazole is sourced from PubChem (CID 146393146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).