N-methoxy-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C8H10F3N3O2 — CID 162520627

IUPACN-methoxy-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCON(C)C(=O)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C8H10F3N3O2/c1-13(16-2)7(15)6-3-12-14(4-6)5-8(9,10)11/h3-4H,5H2,1-2H3
InChIKeyCOLBWDSVIICVRR-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.08
Rot. Bonds3

About N-methoxy-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

N-methoxy-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 162520627) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is N-methoxy-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID162520627
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC NameN-methoxy-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCON(C)C(=O)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C8H10F3N3O2/c1-13(16-2)7(15)6-3-12-14(4-6)5-8(9,10)11/h3-4H,5H2,1-2H3
InChIKeyCOLBWDSVIICVRR-UHFFFAOYSA-N
XLogP1.08
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-1H-pyrazole-4-carboxaldehyde
CID 2758900
1-Propyl-1H-pyrazole-4-carbaldehyde
CID 4711792
1-(2-Methylpropyl)-1H-pyrazole-4-carbaldehyde
CID 19576747
1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carbaldehyde
CID 19619552
1-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carbaldehyde
CID 64566567
1-(2-fluoroethyl)-1H-pyrazole-4-carbaldehyde
CID 71756275
1-(difluoromethyl)-1H-pyrazole-4-carbaldehyde
CID 83814724
1-Methylpyrazole-4-carbonyl fluoride
CID 89458229
methyl 3-(4-carbamoyl-1H-pyrazol-1-yl)propanoate
CID 50896619
1-ethyl-1H-pyrazole-4-carboxamide
CID 22456653
1-Propyl-1h-pyrazole-4-carboxamide
CID 53845262
1-isobutyl-1H-pyrazole-4-carboxamide
CID 58125107

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of N-methoxy-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 162520627) is N-methoxy-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is CON(C)C(=O)c1cnn(CC(F)(F)F)c1.
What is the InChIKey of N-methoxy-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is COLBWDSVIICVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-13(16-2)7(15)6-3-12-14(4-6)5-8(9,10)11/h3-4H,5H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
N-methoxy-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 237.18 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 162520627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).