2-(cyclopropylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide

C10H13F3N4O — CID 99777097

IUPAC2-(cyclopropylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide
SMILESO=C(CNC1CC1)Nc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)6-17-4-3-8(16-17)15-9(18)5-14-7-1-2-7/h3-4,7,14H,1-2,5-6H2,(H,15,16,18)
InChIKeyASJVHCNZOISIKF-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.14
Rot. Bonds5

About 2-(cyclopropylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide

2-(cyclopropylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide (PubChem CID 99777097) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide
PubChem CID99777097
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name2-(cyclopropylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide
SMILESO=C(CNC1CC1)Nc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)6-17-4-3-8(16-17)15-9(18)5-14-7-1-2-7/h3-4,7,14H,1-2,5-6H2,(H,15,16,18)
InChIKeyASJVHCNZOISIKF-UHFFFAOYSA-N
XLogP1.14
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide (CID 99777097) is 2-(cyclopropylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide is O=C(CNC1CC1)Nc1ccn(CC(F)(F)F)n1.
What is the InChIKey of 2-(cyclopropylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide?
The InChIKey is ASJVHCNZOISIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c11-10(12,13)6-17-4-3-8(16-17)15-9(18)5-14-7-1-2-7/h3-4,7,14H,1-2,5-6H2,(H,15,16,18).
What are the key properties of 2-(cyclopropylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide?
2-(cyclopropylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide has a molecular weight of 262.23 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 99777097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).