2-cyclopropyl-3-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)propanenitrile

C13H20N4 — CID 63906887

IUPAC2-cyclopropyl-3-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)propanenitrile
SMILESCc1cnn(CC(C#N)(NC(C)C)C2CC2)c1
InChIInChI=1S/C13H20N4/c1-10(2)16-13(8-14,12-4-5-12)9-17-7-11(3)6-15-17/h6-7,10,12,16H,4-5,9H2,1-3H3
InChIKeyJFKQHSRAXLDRKE-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.86
Rot. Bonds5

About 2-cyclopropyl-3-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)propanenitrile

2-cyclopropyl-3-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)propanenitrile (PubChem CID 63906887) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)propanenitrile
PubChem CID63906887
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-cyclopropyl-3-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)propanenitrile
SMILESCc1cnn(CC(C#N)(NC(C)C)C2CC2)c1
InChIInChI=1S/C13H20N4/c1-10(2)16-13(8-14,12-4-5-12)9-17-7-11(3)6-15-17/h6-7,10,12,16H,4-5,9H2,1-3H3
InChIKeyJFKQHSRAXLDRKE-UHFFFAOYSA-N
XLogP1.86
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propanenitrile
CID 63905645
3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile
CID 63907728
2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanenitrile
CID 79184760
4-(4-methylpyrazol-1-yl)-2-phenyl-2-(propan-2-ylamino)butanenitrile
CID 116692718
2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile
CID 63912431
2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propanenitrile
CID 63907007
2-(cyclopropylamino)-2-methyl-4-(4-methylpyrazol-1-yl)pentanenitrile
CID 64726150
2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanenitrile
CID 63907749
1-(cyclohexylmethyl)-4-methylpyrazole;3-methylbutan-1-ol
CID 155739466
3-cyclopentylsulfanyl-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63907237
2-cyclopropyl-2-(propan-2-ylamino)-3-(1,3-thiazol-2-ylsulfanyl)propanenitrile
CID 63906583
2-cyclopropyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propan-2-ylamino)propanenitrile
CID 63906381

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)propanenitrile (CID 63906887) is 2-cyclopropyl-3-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)propanenitrile is Cc1cnn(CC(C#N)(NC(C)C)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-3-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)propanenitrile?
The InChIKey is JFKQHSRAXLDRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-10(2)16-13(8-14,12-4-5-12)9-17-7-11(3)6-15-17/h6-7,10,12,16H,4-5,9H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)propanenitrile?
2-cyclopropyl-3-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)propanenitrile has a molecular weight of 232.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 63906887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).