2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propanenitrile

C15H24N4 — CID 63905645

IUPAC2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propanenitrile
SMILESCc1nn(CC(C#N)(NC(C)C)C2CC2)c(C)c1C
InChIInChI=1S/C15H24N4/c1-10(2)17-15(8-16,14-6-7-14)9-19-13(5)11(3)12(4)18-19/h10,14,17H,6-7,9H2,1-5H3
InChIKeyFTEIKVCKPHPELS-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.48
Rot. Bonds5

About 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propanenitrile

2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propanenitrile (PubChem CID 63905645) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propanenitrile
PubChem CID63905645
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propanenitrile
SMILESCc1nn(CC(C#N)(NC(C)C)C2CC2)c(C)c1C
InChIInChI=1S/C15H24N4/c1-10(2)17-15(8-16,14-6-7-14)9-19-13(5)11(3)12(4)18-19/h10,14,17H,6-7,9H2,1-5H3
InChIKeyFTEIKVCKPHPELS-UHFFFAOYSA-N
XLogP2.48
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propanenitrile (CID 63905645) is 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propanenitrile is Cc1nn(CC(C#N)(NC(C)C)C2CC2)c(C)c1C.
What is the InChIKey of 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propanenitrile?
The InChIKey is FTEIKVCKPHPELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-10(2)17-15(8-16,14-6-7-14)9-19-13(5)11(3)12(4)18-19/h10,14,17H,6-7,9H2,1-5H3.
What are the key properties of 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propanenitrile?
2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propanenitrile has a molecular weight of 260.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propanenitrile is sourced from PubChem (CID 63905645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).