5-amino-3-[ethyl(methyl)amino]-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile

C10H17N5O2S — CID 102796667

IUPAC5-amino-3-[ethyl(methyl)amino]-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile
SMILESCCN(C)c1nn(CCS(C)(=O)=O)c(N)c1C#N
InChIInChI=1S/C10H17N5O2S/c1-4-14(2)10-8(7-11)9(12)15(13-10)5-6-18(3,16)17/h4-6,12H2,1-3H3
InChIKeyFQEKAAWKKPLQJW-UHFFFAOYSA-N
MW271.35 g/mol
LogP-0.16
Rot. Bonds5

About 5-amino-3-[ethyl(methyl)amino]-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile

5-amino-3-[ethyl(methyl)amino]-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile (PubChem CID 102796667) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is 5-amino-3-[ethyl(methyl)amino]-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[ethyl(methyl)amino]-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile
PubChem CID102796667
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC Name5-amino-3-[ethyl(methyl)amino]-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile
SMILESCCN(C)c1nn(CCS(C)(=O)=O)c(N)c1C#N
InChIInChI=1S/C10H17N5O2S/c1-4-14(2)10-8(7-11)9(12)15(13-10)5-6-18(3,16)17/h4-6,12H2,1-3H3
InChIKeyFQEKAAWKKPLQJW-UHFFFAOYSA-N
XLogP-0.16
TPSA105.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[ethyl(methyl)amino]-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[ethyl(methyl)amino]-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile (CID 102796667) is 5-amino-3-[ethyl(methyl)amino]-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[ethyl(methyl)amino]-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[ethyl(methyl)amino]-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile is CCN(C)c1nn(CCS(C)(=O)=O)c(N)c1C#N.
What is the InChIKey of 5-amino-3-[ethyl(methyl)amino]-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile?
The InChIKey is FQEKAAWKKPLQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-4-14(2)10-8(7-11)9(12)15(13-10)5-6-18(3,16)17/h4-6,12H2,1-3H3.
What are the key properties of 5-amino-3-[ethyl(methyl)amino]-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile?
5-amino-3-[ethyl(methyl)amino]-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile has a molecular weight of 271.35 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[ethyl(methyl)amino]-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 102796667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).