ethane;5-ethyl-1-methylpyrazole-3-carbonitrile

C9H15N3 — CID 177051702

IUPACethane;5-ethyl-1-methylpyrazole-3-carbonitrile
SMILESCC.CCc1cc(C#N)nn1C
InChIInChI=1S/C7H9N3.C2H6/c1-3-7-4-6(5-8)9-10(7)2;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyIPGVIJOFDRYGQB-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.88
Rot. Bonds1

About ethane;5-ethyl-1-methylpyrazole-3-carbonitrile

ethane;5-ethyl-1-methylpyrazole-3-carbonitrile (PubChem CID 177051702) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is ethane;5-ethyl-1-methylpyrazole-3-carbonitrile.

Molecular Properties

Compound Nameethane;5-ethyl-1-methylpyrazole-3-carbonitrile
PubChem CID177051702
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Nameethane;5-ethyl-1-methylpyrazole-3-carbonitrile
SMILESCC.CCc1cc(C#N)nn1C
InChIInChI=1S/C7H9N3.C2H6/c1-3-7-4-6(5-8)9-10(7)2;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyIPGVIJOFDRYGQB-UHFFFAOYSA-N
XLogP1.88
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethyl-1-methylpyrazol-3-yl)-N-methylmethanamine
CID 23006093
(5-ethyl-1-methylpyrazol-3-yl)methanol
CID 23005581
3-(2,2-dimethylpropylsulfanyl)-5-ethyl-1-methylpyrazole
CID 118885944
5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-3-carbonitrile
CID 116858633
1-methyl-6-oxopyridazine-3-carbonitrile
CID 82442076
1-methyl-5-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile
CID 116858713
N-cyano-3-ethyl-1-methylpyrazole-5-carboxamide
CID 79193800
ethane;5-ethyl-1,2-oxazole-3-carbonitrile
CID 170603983
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]imidazole-4,5-dicarbonitrile
CID 112595742
1-(5-ethyl-1-methylpyrazol-3-yl)prop-2-en-1-one
CID 142591969
3-(2-chlorophenyl)-5-ethyl-1-methylpyrazole
CID 70791545
2-(5-ethyl-1-methylpyrazol-3-yl)-2-methylpropanoic acid
CID 105450083

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-1-methylpyrazole-3-carbonitrile?
The IUPAC name of ethane;5-ethyl-1-methylpyrazole-3-carbonitrile (CID 177051702) is ethane;5-ethyl-1-methylpyrazole-3-carbonitrile.
What is the SMILES notation for ethane;5-ethyl-1-methylpyrazole-3-carbonitrile?
The canonical SMILES for ethane;5-ethyl-1-methylpyrazole-3-carbonitrile is CC.CCc1cc(C#N)nn1C.
What is the InChIKey of ethane;5-ethyl-1-methylpyrazole-3-carbonitrile?
The InChIKey is IPGVIJOFDRYGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3.C2H6/c1-3-7-4-6(5-8)9-10(7)2;1-2/h4H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;5-ethyl-1-methylpyrazole-3-carbonitrile?
ethane;5-ethyl-1-methylpyrazole-3-carbonitrile has a molecular weight of 165.24 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-1-methylpyrazole-3-carbonitrile is sourced from PubChem (CID 177051702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).