4-ethyl-2,5-dimethyl-1,5-dihydropyrazole

C7H14N2 — CID 123442562

IUPAC4-ethyl-2,5-dimethyl-1,5-dihydropyrazole
SMILESCCC1=CN(C)NC1C
InChIInChI=1S/C7H14N2/c1-4-7-5-9(3)8-6(7)2/h5-6,8H,4H2,1-3H3
InChIKeyNAQRRUXZJZOAMV-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.12
Rot. Bonds1

About 4-ethyl-2,5-dimethyl-1,5-dihydropyrazole

4-ethyl-2,5-dimethyl-1,5-dihydropyrazole (PubChem CID 123442562) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-ethyl-2,5-dimethyl-1,5-dihydropyrazole.

Molecular Properties

Compound Name4-ethyl-2,5-dimethyl-1,5-dihydropyrazole
PubChem CID123442562
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name4-ethyl-2,5-dimethyl-1,5-dihydropyrazole
SMILESCCC1=CN(C)NC1C
InChIInChI=1S/C7H14N2/c1-4-7-5-9(3)8-6(7)2/h5-6,8H,4H2,1-3H3
InChIKeyNAQRRUXZJZOAMV-UHFFFAOYSA-N
XLogP1.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,5-dimethyl-1,5-dihydropyrazole?
The IUPAC name of 4-ethyl-2,5-dimethyl-1,5-dihydropyrazole (CID 123442562) is 4-ethyl-2,5-dimethyl-1,5-dihydropyrazole.
What is the SMILES notation for 4-ethyl-2,5-dimethyl-1,5-dihydropyrazole?
The canonical SMILES for 4-ethyl-2,5-dimethyl-1,5-dihydropyrazole is CCC1=CN(C)NC1C.
What is the InChIKey of 4-ethyl-2,5-dimethyl-1,5-dihydropyrazole?
The InChIKey is NAQRRUXZJZOAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-7-5-9(3)8-6(7)2/h5-6,8H,4H2,1-3H3.
What are the key properties of 4-ethyl-2,5-dimethyl-1,5-dihydropyrazole?
4-ethyl-2,5-dimethyl-1,5-dihydropyrazole has a molecular weight of 126.20 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,5-dimethyl-1,5-dihydropyrazole is sourced from PubChem (CID 123442562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).