2-propyl-3,4-dihydropyrazole

C6H12N2 — CID 19604028

IUPAC2-propyl-3,4-dihydropyrazole
SMILESCCCN1CCC=N1
InChIInChI=1S/C6H12N2/c1-2-5-8-6-3-4-7-8/h4H,2-3,5-6H2,1H3
InChIKeyVQSHJOCXOOKKCT-UHFFFAOYSA-N
MW112.18 g/mol
LogP1.09
Rot. Bonds2

About 2-propyl-3,4-dihydropyrazole

2-propyl-3,4-dihydropyrazole (PubChem CID 19604028) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-propyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-propyl-3,4-dihydropyrazole
PubChem CID19604028
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-propyl-3,4-dihydropyrazole
SMILESCCCN1CCC=N1
InChIInChI=1S/C6H12N2/c1-2-5-8-6-3-4-7-8/h4H,2-3,5-6H2,1H3
InChIKeyVQSHJOCXOOKKCT-UHFFFAOYSA-N
XLogP1.09
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-3,4-dihydropyrazole?
The IUPAC name of 2-propyl-3,4-dihydropyrazole (CID 19604028) is 2-propyl-3,4-dihydropyrazole.
What is the SMILES notation for 2-propyl-3,4-dihydropyrazole?
The canonical SMILES for 2-propyl-3,4-dihydropyrazole is CCCN1CCC=N1.
What is the InChIKey of 2-propyl-3,4-dihydropyrazole?
The InChIKey is VQSHJOCXOOKKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-5-8-6-3-4-7-8/h4H,2-3,5-6H2,1H3.
What are the key properties of 2-propyl-3,4-dihydropyrazole?
2-propyl-3,4-dihydropyrazole has a molecular weight of 112.18 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3,4-dihydropyrazole is sourced from PubChem (CID 19604028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).