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2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanenitrile

C14H20N4S — CID 63907221

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanenitrile
SMILESCc1cc(SCC(C#N)(NC2CC2)C2CC2)n(C)n1
InChIInChI=1S/C14H20N4S/c1-10-7-13(18(2)17-10)19-9-14(8-15,11-3-4-11)16-12-5-6-12/h7,11-12,16H,3-6,9H2,1-2H3
InChIKeyHAJNJROFWCIORP-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.24
Rot. Bonds6

About 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanenitrile

2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanenitrile (PubChem CID 63907221) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanenitrile
PubChem CID63907221
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanenitrile
SMILESCc1cc(SCC(C#N)(NC2CC2)C2CC2)n(C)n1
InChIInChI=1S/C14H20N4S/c1-10-7-13(18(2)17-10)19-9-14(8-15,11-3-4-11)16-12-5-6-12/h7,11-12,16H,3-6,9H2,1-2H3
InChIKeyHAJNJROFWCIORP-UHFFFAOYSA-N
XLogP2.24
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanenitrile?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanenitrile (CID 63907221) is 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanenitrile is Cc1cc(SCC(C#N)(NC2CC2)C2CC2)n(C)n1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanenitrile?
The InChIKey is HAJNJROFWCIORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-10-7-13(18(2)17-10)19-9-14(8-15,11-3-4-11)16-12-5-6-12/h7,11-12,16H,3-6,9H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanenitrile?
2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanenitrile has a molecular weight of 276.41 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanenitrile is sourced from PubChem (CID 63907221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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