5-propyl-2,3-dihydro-1H-pyrazole

C6H12N2 — CID 70534167

IUPAC5-propyl-2,3-dihydro-1H-pyrazole
SMILESCCCC1=CCNN1
InChIInChI=1S/C6H12N2/c1-2-3-6-4-5-7-8-6/h4,7-8H,2-3,5H2,1H3
InChIKeyFBTGVROAMFGLSC-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.78
Rot. Bonds2

About 5-propyl-2,3-dihydro-1H-pyrazole

5-propyl-2,3-dihydro-1H-pyrazole (PubChem CID 70534167) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 5-propyl-2,3-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-propyl-2,3-dihydro-1H-pyrazole
PubChem CID70534167
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name5-propyl-2,3-dihydro-1H-pyrazole
SMILESCCCC1=CCNN1
InChIInChI=1S/C6H12N2/c1-2-3-6-4-5-7-8-6/h4,7-8H,2-3,5H2,1H3
InChIKeyFBTGVROAMFGLSC-UHFFFAOYSA-N
XLogP0.78
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-2,3-dihydro-1H-pyrazole?
The IUPAC name of 5-propyl-2,3-dihydro-1H-pyrazole (CID 70534167) is 5-propyl-2,3-dihydro-1H-pyrazole.
What is the SMILES notation for 5-propyl-2,3-dihydro-1H-pyrazole?
The canonical SMILES for 5-propyl-2,3-dihydro-1H-pyrazole is CCCC1=CCNN1.
What is the InChIKey of 5-propyl-2,3-dihydro-1H-pyrazole?
The InChIKey is FBTGVROAMFGLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-3-6-4-5-7-8-6/h4,7-8H,2-3,5H2,1H3.
What are the key properties of 5-propyl-2,3-dihydro-1H-pyrazole?
5-propyl-2,3-dihydro-1H-pyrazole has a molecular weight of 112.18 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2,3-dihydro-1H-pyrazole is sourced from PubChem (CID 70534167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).