4-propyl-4,5-dihydro-1H-pyrazole

C6H12N2 — CID 91348709

IUPAC4-propyl-4,5-dihydro-1H-pyrazole
SMILESCCCC1C=NNC1
InChIInChI=1S/C6H12N2/c1-2-3-6-4-7-8-5-6/h4,6,8H,2-3,5H2,1H3
InChIKeyGYJLSHWAUKHPJA-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.99
Rot. Bonds2

About 4-propyl-4,5-dihydro-1H-pyrazole

4-propyl-4,5-dihydro-1H-pyrazole (PubChem CID 91348709) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 4-propyl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name4-propyl-4,5-dihydro-1H-pyrazole
PubChem CID91348709
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name4-propyl-4,5-dihydro-1H-pyrazole
SMILESCCCC1C=NNC1
InChIInChI=1S/C6H12N2/c1-2-3-6-4-7-8-5-6/h4,6,8H,2-3,5H2,1H3
InChIKeyGYJLSHWAUKHPJA-UHFFFAOYSA-N
XLogP0.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 4-propyl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 4-propyl-4,5-dihydro-1H-pyrazole (CID 91348709) is 4-propyl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 4-propyl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 4-propyl-4,5-dihydro-1H-pyrazole is CCCC1C=NNC1.
What is the InChIKey of 4-propyl-4,5-dihydro-1H-pyrazole?
The InChIKey is GYJLSHWAUKHPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-3-6-4-7-8-5-6/h4,6,8H,2-3,5H2,1H3.
What are the key properties of 4-propyl-4,5-dihydro-1H-pyrazole?
4-propyl-4,5-dihydro-1H-pyrazole has a molecular weight of 112.18 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 91348709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).