2-(3-aminopyrazol-1-yl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide

C12H17F3N4O — CID 62113209

IUPAC2-(3-aminopyrazol-1-yl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)Cn1ccc(N)n1
InChIInChI=1S/C12H17F3N4O/c1-8(9-2-3-9)19(7-12(13,14)15)11(20)6-18-5-4-10(16)17-18/h4-5,8-9H,2-3,6-7H2,1H3,(H2,16,17)
InChIKeyPFPAOUHGBZDUNB-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.65
Rot. Bonds5

About 2-(3-aminopyrazol-1-yl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(3-aminopyrazol-1-yl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 62113209) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID62113209
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name2-(3-aminopyrazol-1-yl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)Cn1ccc(N)n1
InChIInChI=1S/C12H17F3N4O/c1-8(9-2-3-9)19(7-12(13,14)15)11(20)6-18-5-4-10(16)17-18/h4-5,8-9H,2-3,6-7H2,1H3,(H2,16,17)
InChIKeyPFPAOUHGBZDUNB-UHFFFAOYSA-N
XLogP1.65
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 62113209) is 2-(3-aminopyrazol-1-yl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C1CC1)N(CC(F)(F)F)C(=O)Cn1ccc(N)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is PFPAOUHGBZDUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-8(9-2-3-9)19(7-12(13,14)15)11(20)6-18-5-4-10(16)17-18/h4-5,8-9H,2-3,6-7H2,1H3,(H2,16,17).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-aminopyrazol-1-yl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 290.29 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 62113209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).