3,5-diethyl-1H-pyrazole

C7H12N2 — CID 4306367

IUPAC3,5-diethyl-1H-pyrazole
SMILESCCc1cc(CC)[nH]n1
InChIInChI=1S/C7H12N2/c1-3-6-5-7(4-2)9-8-6/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyUFLLSVUGUWBXJA-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.53
Rot. Bonds2

About 3,5-diethyl-1H-pyrazole

3,5-diethyl-1H-pyrazole (PubChem CID 4306367) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 3,5-diethyl-1H-pyrazole.

Molecular Properties

Compound Name3,5-diethyl-1H-pyrazole
PubChem CID4306367
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name3,5-diethyl-1H-pyrazole
SMILESCCc1cc(CC)[nH]n1
InChIInChI=1S/C7H12N2/c1-3-6-5-7(4-2)9-8-6/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyUFLLSVUGUWBXJA-UHFFFAOYSA-N
XLogP1.53
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1H-pyrazole?
The IUPAC name of 3,5-diethyl-1H-pyrazole (CID 4306367) is 3,5-diethyl-1H-pyrazole.
What is the SMILES notation for 3,5-diethyl-1H-pyrazole?
The canonical SMILES for 3,5-diethyl-1H-pyrazole is CCc1cc(CC)[nH]n1.
What is the InChIKey of 3,5-diethyl-1H-pyrazole?
The InChIKey is UFLLSVUGUWBXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-6-5-7(4-2)9-8-6/h5H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 3,5-diethyl-1H-pyrazole?
3,5-diethyl-1H-pyrazole has a molecular weight of 124.19 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1H-pyrazole is sourced from PubChem (CID 4306367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).