2-(propan-2-ylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanenitrile

C11H15F3N4 — CID 55144480

IUPAC2-(propan-2-ylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanenitrile
SMILESCC(C)NC(C#N)CCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4/c1-8(2)16-9(7-15)3-5-18-6-4-10(17-18)11(12,13)14/h4,6,8-9,16H,3,5H2,1-2H3
InChIKeyHAFKDOZCSJGCPO-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.18
Rot. Bonds5

About 2-(propan-2-ylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanenitrile

2-(propan-2-ylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanenitrile (PubChem CID 55144480) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanenitrile.

Molecular Properties

Compound Name2-(propan-2-ylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanenitrile
PubChem CID55144480
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name2-(propan-2-ylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanenitrile
SMILESCC(C)NC(C#N)CCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4/c1-8(2)16-9(7-15)3-5-18-6-4-10(17-18)11(12,13)14/h4,6,8-9,16H,3,5H2,1-2H3
InChIKeyHAFKDOZCSJGCPO-UHFFFAOYSA-N
XLogP2.18
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanenitrile?
The IUPAC name of 2-(propan-2-ylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanenitrile (CID 55144480) is 2-(propan-2-ylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanenitrile.
What is the SMILES notation for 2-(propan-2-ylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanenitrile?
The canonical SMILES for 2-(propan-2-ylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanenitrile is CC(C)NC(C#N)CCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-(propan-2-ylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanenitrile?
The InChIKey is HAFKDOZCSJGCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-8(2)16-9(7-15)3-5-18-6-4-10(17-18)11(12,13)14/h4,6,8-9,16H,3,5H2,1-2H3.
What are the key properties of 2-(propan-2-ylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanenitrile?
2-(propan-2-ylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanenitrile has a molecular weight of 260.26 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanenitrile is sourced from PubChem (CID 55144480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).