3-[5-amino-3-[ethyl(methyl)amino]-4-methylsulfonylpyrazol-1-yl]propanenitrile

C10H17N5O2S — CID 102825706

IUPAC3-[5-amino-3-[ethyl(methyl)amino]-4-methylsulfonylpyrazol-1-yl]propanenitrile
SMILESCCN(C)c1nn(CCC#N)c(N)c1S(C)(=O)=O
InChIInChI=1S/C10H17N5O2S/c1-4-14(2)10-8(18(3,16)17)9(12)15(13-10)7-5-6-11/h4-5,7,12H2,1-3H3
InChIKeyTUGKJKQHHNDPAE-UHFFFAOYSA-N
MW271.35 g/mol
LogP0.24
Rot. Bonds5

About 3-[5-amino-3-[ethyl(methyl)amino]-4-methylsulfonylpyrazol-1-yl]propanenitrile

3-[5-amino-3-[ethyl(methyl)amino]-4-methylsulfonylpyrazol-1-yl]propanenitrile (PubChem CID 102825706) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is 3-[5-amino-3-[ethyl(methyl)amino]-4-methylsulfonylpyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[5-amino-3-[ethyl(methyl)amino]-4-methylsulfonylpyrazol-1-yl]propanenitrile
PubChem CID102825706
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC Name3-[5-amino-3-[ethyl(methyl)amino]-4-methylsulfonylpyrazol-1-yl]propanenitrile
SMILESCCN(C)c1nn(CCC#N)c(N)c1S(C)(=O)=O
InChIInChI=1S/C10H17N5O2S/c1-4-14(2)10-8(18(3,16)17)9(12)15(13-10)7-5-6-11/h4-5,7,12H2,1-3H3
InChIKeyTUGKJKQHHNDPAE-UHFFFAOYSA-N
XLogP0.24
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 ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-3-[ethyl(methyl)amino]-4-methylsulfonylpyrazol-1-yl]propanenitrile?
The IUPAC name of 3-[5-amino-3-[ethyl(methyl)amino]-4-methylsulfonylpyrazol-1-yl]propanenitrile (CID 102825706) is 3-[5-amino-3-[ethyl(methyl)amino]-4-methylsulfonylpyrazol-1-yl]propanenitrile.
What is the SMILES notation for 3-[5-amino-3-[ethyl(methyl)amino]-4-methylsulfonylpyrazol-1-yl]propanenitrile?
The canonical SMILES for 3-[5-amino-3-[ethyl(methyl)amino]-4-methylsulfonylpyrazol-1-yl]propanenitrile is CCN(C)c1nn(CCC#N)c(N)c1S(C)(=O)=O.
What is the InChIKey of 3-[5-amino-3-[ethyl(methyl)amino]-4-methylsulfonylpyrazol-1-yl]propanenitrile?
The InChIKey is TUGKJKQHHNDPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-4-14(2)10-8(18(3,16)17)9(12)15(13-10)7-5-6-11/h4-5,7,12H2,1-3H3.
What are the key properties of 3-[5-amino-3-[ethyl(methyl)amino]-4-methylsulfonylpyrazol-1-yl]propanenitrile?
3-[5-amino-3-[ethyl(methyl)amino]-4-methylsulfonylpyrazol-1-yl]propanenitrile has a molecular weight of 271.35 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-3-[ethyl(methyl)amino]-4-methylsulfonylpyrazol-1-yl]propanenitrile is sourced from PubChem (CID 102825706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).