2,5-dipropyl-3,4-dihydropyrazole

C9H18N2 — CID 19604040

IUPAC2,5-dipropyl-3,4-dihydropyrazole
SMILESCCCC1=NN(CCC)CC1
InChIInChI=1S/C9H18N2/c1-3-5-9-6-8-11(10-9)7-4-2/h3-8H2,1-2H3
InChIKeyKKEPCOFCMBPEPX-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.26
Rot. Bonds4

About 2,5-dipropyl-3,4-dihydropyrazole

2,5-dipropyl-3,4-dihydropyrazole (PubChem CID 19604040) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2,5-dipropyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2,5-dipropyl-3,4-dihydropyrazole
PubChem CID19604040
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2,5-dipropyl-3,4-dihydropyrazole
SMILESCCCC1=NN(CCC)CC1
InChIInChI=1S/C9H18N2/c1-3-5-9-6-8-11(10-9)7-4-2/h3-8H2,1-2H3
InChIKeyKKEPCOFCMBPEPX-UHFFFAOYSA-N
XLogP2.26
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dipropyl-3,4-dihydropyrazole?
The IUPAC name of 2,5-dipropyl-3,4-dihydropyrazole (CID 19604040) is 2,5-dipropyl-3,4-dihydropyrazole.
What is the SMILES notation for 2,5-dipropyl-3,4-dihydropyrazole?
The canonical SMILES for 2,5-dipropyl-3,4-dihydropyrazole is CCCC1=NN(CCC)CC1.
What is the InChIKey of 2,5-dipropyl-3,4-dihydropyrazole?
The InChIKey is KKEPCOFCMBPEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-5-9-6-8-11(10-9)7-4-2/h3-8H2,1-2H3.
What are the key properties of 2,5-dipropyl-3,4-dihydropyrazole?
2,5-dipropyl-3,4-dihydropyrazole has a molecular weight of 154.26 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dipropyl-3,4-dihydropyrazole is sourced from PubChem (CID 19604040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).