ethane;4-methyl-4H-pyrazole

C6H12N2 — CID 90945974

IUPACethane;4-methyl-4H-pyrazole
SMILESCC.CC1C=NN=C1
InChIInChI=1S/C4H6N2.C2H6/c1-4-2-5-6-3-4;1-2/h2-4H,1H3;1-2H3
InChIKeyVRNHJFZCTHDPMQ-UHFFFAOYSA-N
MW112.18 g/mol
LogP1.72
Rot. Bonds

About ethane;4-methyl-4H-pyrazole

ethane;4-methyl-4H-pyrazole (PubChem CID 90945974) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is ethane;4-methyl-4H-pyrazole.

Molecular Properties

Compound Nameethane;4-methyl-4H-pyrazole
PubChem CID90945974
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Nameethane;4-methyl-4H-pyrazole
SMILESCC.CC1C=NN=C1
InChIInChI=1S/C4H6N2.C2H6/c1-4-2-5-6-3-4;1-2/h2-4H,1H3;1-2H3
InChIKeyVRNHJFZCTHDPMQ-UHFFFAOYSA-N
XLogP1.72
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(5S)-3,5-dimethyl-4,5-dihydropyridazine
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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-4H-pyrazole?
The IUPAC name of ethane;4-methyl-4H-pyrazole (CID 90945974) is ethane;4-methyl-4H-pyrazole.
What is the SMILES notation for ethane;4-methyl-4H-pyrazole?
The canonical SMILES for ethane;4-methyl-4H-pyrazole is CC.CC1C=NN=C1.
What is the InChIKey of ethane;4-methyl-4H-pyrazole?
The InChIKey is VRNHJFZCTHDPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.C2H6/c1-4-2-5-6-3-4;1-2/h2-4H,1H3;1-2H3.
What are the key properties of ethane;4-methyl-4H-pyrazole?
ethane;4-methyl-4H-pyrazole has a molecular weight of 112.18 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-4H-pyrazole is sourced from PubChem (CID 90945974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).