(3R)-4-ethyl-3-methyl-2,3-dihydro-1H-pyrazole

C6H12N2 — CID 90071112

IUPAC(3R)-4-ethyl-3-methyl-2,3-dihydro-1H-pyrazole
SMILESCCC1=CNN[C@@H]1C
InChIInChI=1S/C6H12N2/c1-3-6-4-7-8-5(6)2/h4-5,7-8H,3H2,1-2H3/t5-/m1/s1
InChIKeyCKGJDLVDMOBCKU-RXMQYKEDSA-N
MW112.18 g/mol
LogP0.78
Rot. Bonds1

About (3R)-4-ethyl-3-methyl-2,3-dihydro-1H-pyrazole

(3R)-4-ethyl-3-methyl-2,3-dihydro-1H-pyrazole (PubChem CID 90071112) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (3R)-4-ethyl-3-methyl-2,3-dihydro-1H-pyrazole.

Molecular Properties

Compound Name(3R)-4-ethyl-3-methyl-2,3-dihydro-1H-pyrazole
PubChem CID90071112
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(3R)-4-ethyl-3-methyl-2,3-dihydro-1H-pyrazole
SMILESCCC1=CNN[C@@H]1C
InChIInChI=1S/C6H12N2/c1-3-6-4-7-8-5(6)2/h4-5,7-8H,3H2,1-2H3/t5-/m1/s1
InChIKeyCKGJDLVDMOBCKU-RXMQYKEDSA-N
XLogP0.78
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-ethyl-3-methyl-2,3-dihydro-1H-pyrazole?
The IUPAC name of (3R)-4-ethyl-3-methyl-2,3-dihydro-1H-pyrazole (CID 90071112) is (3R)-4-ethyl-3-methyl-2,3-dihydro-1H-pyrazole.
What is the SMILES notation for (3R)-4-ethyl-3-methyl-2,3-dihydro-1H-pyrazole?
The canonical SMILES for (3R)-4-ethyl-3-methyl-2,3-dihydro-1H-pyrazole is CCC1=CNN[C@@H]1C.
What is the InChIKey of (3R)-4-ethyl-3-methyl-2,3-dihydro-1H-pyrazole?
The InChIKey is CKGJDLVDMOBCKU-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-6-4-7-8-5(6)2/h4-5,7-8H,3H2,1-2H3/t5-/m1/s1.
What are the key properties of (3R)-4-ethyl-3-methyl-2,3-dihydro-1H-pyrazole?
(3R)-4-ethyl-3-methyl-2,3-dihydro-1H-pyrazole has a molecular weight of 112.18 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-ethyl-3-methyl-2,3-dihydro-1H-pyrazole is sourced from PubChem (CID 90071112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).