4-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carbonitrile

C10H14N4O2S — CID 107160788

IUPAC4-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carbonitrile
SMILESCC1(C#N)CCN(S(=O)(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C10H14N4O2S/c1-10(8-11)3-6-14(7-4-10)17(15,16)9-2-5-12-13-9/h2,5H,3-4,6-7H2,1H3,(H,12,13)
InChIKeyAQRCFQBRKILNAH-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.72
Rot. Bonds2

About 4-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carbonitrile

4-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carbonitrile (PubChem CID 107160788) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carbonitrile
PubChem CID107160788
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name4-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carbonitrile
SMILESCC1(C#N)CCN(S(=O)(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C10H14N4O2S/c1-10(8-11)3-6-14(7-4-10)17(15,16)9-2-5-12-13-9/h2,5H,3-4,6-7H2,1H3,(H,12,13)
InChIKeyAQRCFQBRKILNAH-UHFFFAOYSA-N
XLogP0.72
TPSA89.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carbonitrile?
The IUPAC name of 4-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carbonitrile (CID 107160788) is 4-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carbonitrile is CC1(C#N)CCN(S(=O)(=O)c2ccn[nH]2)CC1.
What is the InChIKey of 4-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carbonitrile?
The InChIKey is AQRCFQBRKILNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-10(8-11)3-6-14(7-4-10)17(15,16)9-2-5-12-13-9/h2,5H,3-4,6-7H2,1H3,(H,12,13).
What are the key properties of 4-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carbonitrile?
4-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carbonitrile has a molecular weight of 254.31 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carbonitrile is sourced from PubChem (CID 107160788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).