2-(cyclopropylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanamide

C11H15F3N4O — CID 63039376

IUPAC2-(cyclopropylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanamide
SMILESNC(=O)C(CCn1ccc(C(F)(F)F)n1)NC1CC1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)9-4-6-18(17-9)5-3-8(10(15)19)16-7-1-2-7/h4,6-8,16H,1-3,5H2,(H2,15,19)
InChIKeyWCABLDAOTZEWDW-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.90
Rot. Bonds6

About 2-(cyclopropylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanamide

2-(cyclopropylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanamide (PubChem CID 63039376) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanamide
PubChem CID63039376
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name2-(cyclopropylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanamide
SMILESNC(=O)C(CCn1ccc(C(F)(F)F)n1)NC1CC1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)9-4-6-18(17-9)5-3-8(10(15)19)16-7-1-2-7/h4,6-8,16H,1-3,5H2,(H2,15,19)
InChIKeyWCABLDAOTZEWDW-UHFFFAOYSA-N
XLogP0.90
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanamide?
The IUPAC name of 2-(cyclopropylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanamide (CID 63039376) is 2-(cyclopropylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanamide is NC(=O)C(CCn1ccc(C(F)(F)F)n1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanamide?
The InChIKey is WCABLDAOTZEWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)9-4-6-18(17-9)5-3-8(10(15)19)16-7-1-2-7/h4,6-8,16H,1-3,5H2,(H2,15,19).
What are the key properties of 2-(cyclopropylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanamide?
2-(cyclopropylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanamide has a molecular weight of 276.26 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]butanamide is sourced from PubChem (CID 63039376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).