2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetonitrile

C10H15N5O2S — CID 63337013

IUPAC2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetonitrile
SMILESCn1cc(S(=O)(=O)N2CCN(CC#N)CC2)cn1
InChIInChI=1S/C10H15N5O2S/c1-13-9-10(8-12-13)18(16,17)15-6-4-14(3-2-11)5-7-15/h8-9H,3-7H2,1H3
InChIKeyPREMAMKXFFUMTF-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.75
Rot. Bonds3

About 2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetonitrile

2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetonitrile (PubChem CID 63337013) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetonitrile
PubChem CID63337013
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Name2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetonitrile
SMILESCn1cc(S(=O)(=O)N2CCN(CC#N)CC2)cn1
InChIInChI=1S/C10H15N5O2S/c1-13-9-10(8-12-13)18(16,17)15-6-4-14(3-2-11)5-7-15/h8-9H,3-7H2,1H3
InChIKeyPREMAMKXFFUMTF-UHFFFAOYSA-N
XLogP-0.75
TPSA82.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

4-(azetidin-1-ylsulfonyl)-1-methylpyrazole
CID 141430347
2-methyl-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]propanenitrile
CID 63341182
1-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 19582032
1-(1-methylpyrazol-4-yl)sulfonyl-4-methylsulfonyl-1,4-diazepane
CID 47206241
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]acetonitrile
CID 33220676
4-[4-(cyanomethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 34911945
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetonitrile
CID 28705350
1-(furan-2-ylmethyl)-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 19582895
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 17022437
1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 17022440
4-[[4-(1-methylpyrazol-4-yl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]morpholine
CID 91629454
2-chloro-4-[4-(cyanomethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 115601913

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetonitrile?
The IUPAC name of 2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetonitrile (CID 63337013) is 2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetonitrile is Cn1cc(S(=O)(=O)N2CCN(CC#N)CC2)cn1.
What is the InChIKey of 2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetonitrile?
The InChIKey is PREMAMKXFFUMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-13-9-10(8-12-13)18(16,17)15-6-4-14(3-2-11)5-7-15/h8-9H,3-7H2,1H3.
What are the key properties of 2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetonitrile?
2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetonitrile has a molecular weight of 269.33 g/mol, XLogP of -0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetonitrile is sourced from PubChem (CID 63337013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).