N-[[acetyl(methyl)amino]-[4-(trifluoromethyl)pyrazol-1-yl]methyl]acetamide

C10H13F3N4O2 — CID 156867366

IUPACN-[[acetyl(methyl)amino]-[4-(trifluoromethyl)pyrazol-1-yl]methyl]acetamide
SMILESCC(=O)NC(N(C)C(C)=O)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C10H13F3N4O2/c1-6(18)15-9(16(3)7(2)19)17-5-8(4-14-17)10(11,12)13/h4-5,9H,1-3H3,(H,15,18)
InChIKeyPTQOLQHAZOUZCN-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.97
Rot. Bonds3

About N-[[acetyl(methyl)amino]-[4-(trifluoromethyl)pyrazol-1-yl]methyl]acetamide

N-[[acetyl(methyl)amino]-[4-(trifluoromethyl)pyrazol-1-yl]methyl]acetamide (PubChem CID 156867366) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is N-[[acetyl(methyl)amino]-[4-(trifluoromethyl)pyrazol-1-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[acetyl(methyl)amino]-[4-(trifluoromethyl)pyrazol-1-yl]methyl]acetamide
PubChem CID156867366
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC NameN-[[acetyl(methyl)amino]-[4-(trifluoromethyl)pyrazol-1-yl]methyl]acetamide
SMILESCC(=O)NC(N(C)C(C)=O)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C10H13F3N4O2/c1-6(18)15-9(16(3)7(2)19)17-5-8(4-14-17)10(11,12)13/h4-5,9H,1-3H3,(H,15,18)
InChIKeyPTQOLQHAZOUZCN-UHFFFAOYSA-N
XLogP0.97
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[acetyl(methyl)amino]-[4-(trifluoromethyl)pyrazol-1-yl]methyl]acetamide?
The IUPAC name of N-[[acetyl(methyl)amino]-[4-(trifluoromethyl)pyrazol-1-yl]methyl]acetamide (CID 156867366) is N-[[acetyl(methyl)amino]-[4-(trifluoromethyl)pyrazol-1-yl]methyl]acetamide.
What is the SMILES notation for N-[[acetyl(methyl)amino]-[4-(trifluoromethyl)pyrazol-1-yl]methyl]acetamide?
The canonical SMILES for N-[[acetyl(methyl)amino]-[4-(trifluoromethyl)pyrazol-1-yl]methyl]acetamide is CC(=O)NC(N(C)C(C)=O)n1cc(C(F)(F)F)cn1.
What is the InChIKey of N-[[acetyl(methyl)amino]-[4-(trifluoromethyl)pyrazol-1-yl]methyl]acetamide?
The InChIKey is PTQOLQHAZOUZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2/c1-6(18)15-9(16(3)7(2)19)17-5-8(4-14-17)10(11,12)13/h4-5,9H,1-3H3,(H,15,18).
What are the key properties of N-[[acetyl(methyl)amino]-[4-(trifluoromethyl)pyrazol-1-yl]methyl]acetamide?
N-[[acetyl(methyl)amino]-[4-(trifluoromethyl)pyrazol-1-yl]methyl]acetamide has a molecular weight of 278.23 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[acetyl(methyl)amino]-[4-(trifluoromethyl)pyrazol-1-yl]methyl]acetamide is sourced from PubChem (CID 156867366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).