3-propan-2-yl-4,5-dihydro-1H-pyrazole

C6H12N2 — CID 58111212

IUPAC3-propan-2-yl-4,5-dihydro-1H-pyrazole
SMILESCC(C)C1=NNCC1
InChIInChI=1S/C6H12N2/c1-5(2)6-3-4-7-8-6/h5,7H,3-4H2,1-2H3
InChIKeyFJSDGJIOPQPKDZ-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.99
Rot. Bonds1

About 3-propan-2-yl-4,5-dihydro-1H-pyrazole

3-propan-2-yl-4,5-dihydro-1H-pyrazole (PubChem CID 58111212) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 3-propan-2-yl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-propan-2-yl-4,5-dihydro-1H-pyrazole
PubChem CID58111212
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name3-propan-2-yl-4,5-dihydro-1H-pyrazole
SMILESCC(C)C1=NNCC1
InChIInChI=1S/C6H12N2/c1-5(2)6-3-4-7-8-6/h5,7H,3-4H2,1-2H3
InChIKeyFJSDGJIOPQPKDZ-UHFFFAOYSA-N
XLogP0.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 3-propan-2-yl-4,5-dihydro-1H-pyrazole (CID 58111212) is 3-propan-2-yl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 3-propan-2-yl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 3-propan-2-yl-4,5-dihydro-1H-pyrazole is CC(C)C1=NNCC1.
What is the InChIKey of 3-propan-2-yl-4,5-dihydro-1H-pyrazole?
The InChIKey is FJSDGJIOPQPKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-5(2)6-3-4-7-8-6/h5,7H,3-4H2,1-2H3.
What are the key properties of 3-propan-2-yl-4,5-dihydro-1H-pyrazole?
3-propan-2-yl-4,5-dihydro-1H-pyrazole has a molecular weight of 112.18 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 58111212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).