4-propyl-4,5-dihydro-3H-pyrazole

C6H12N2 — CID 123289792

IUPAC4-propyl-4,5-dihydro-3H-pyrazole
SMILESCCCC1CN=NC1
InChIInChI=1S/C6H12N2/c1-2-3-6-4-7-8-5-6/h6H,2-5H2,1H3
InChIKeyJESMEMWIFBDLJS-UHFFFAOYSA-N
MW112.18 g/mol
LogP1.87
Rot. Bonds2

About 4-propyl-4,5-dihydro-3H-pyrazole

4-propyl-4,5-dihydro-3H-pyrazole (PubChem CID 123289792) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 4-propyl-4,5-dihydro-3H-pyrazole.

Molecular Properties

Compound Name4-propyl-4,5-dihydro-3H-pyrazole
PubChem CID123289792
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name4-propyl-4,5-dihydro-3H-pyrazole
SMILESCCCC1CN=NC1
InChIInChI=1S/C6H12N2/c1-2-3-6-4-7-8-5-6/h6H,2-5H2,1H3
InChIKeyJESMEMWIFBDLJS-UHFFFAOYSA-N
XLogP1.87
TPSA24.72 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 ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
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cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450
1-propyl-4-[2-(4-propylcyclohexyl)ethynyl]cyclohexane
CID 145484566
3-propylbicyclo[4.2.0]octane
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1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
propylcyclotetradecane
CID 90991550
4-propyldioxolane
CID 174817920
2-propyl-6-[4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866438
1-methyl-4-propylcycloheptane
CID 90967653

Frequently Asked Questions

What is the IUPAC name of 4-propyl-4,5-dihydro-3H-pyrazole?
The IUPAC name of 4-propyl-4,5-dihydro-3H-pyrazole (CID 123289792) is 4-propyl-4,5-dihydro-3H-pyrazole.
What is the SMILES notation for 4-propyl-4,5-dihydro-3H-pyrazole?
The canonical SMILES for 4-propyl-4,5-dihydro-3H-pyrazole is CCCC1CN=NC1.
What is the InChIKey of 4-propyl-4,5-dihydro-3H-pyrazole?
The InChIKey is JESMEMWIFBDLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-3-6-4-7-8-5-6/h6H,2-5H2,1H3.
What are the key properties of 4-propyl-4,5-dihydro-3H-pyrazole?
4-propyl-4,5-dihydro-3H-pyrazole has a molecular weight of 112.18 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-4,5-dihydro-3H-pyrazole is sourced from PubChem (CID 123289792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).