4-[formyl(methyl)amino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

C16H20F3N5O3 — CID 134381873

IUPAC4-[formyl(methyl)amino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCC(C)c1cc(CN(C)C(=O)c2c(N(C)C=O)cnn2CC(F)(F)F)on1
InChIInChI=1S/C16H20F3N5O3/c1-10(2)12-5-11(27-21-12)7-22(3)15(26)14-13(23(4)9-25)6-20-24(14)8-16(17,18)19/h5-6,9-10H,7-8H2,1-4H3
InChIKeyIBPUHUFOBJGONF-UHFFFAOYSA-N
MW387.36 g/mol
LogP2.42
Rot. Bonds7

About 4-[formyl(methyl)amino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

4-[formyl(methyl)amino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (PubChem CID 134381873) has the molecular formula C16H20F3N5O3 and a molecular weight of 387.36 g/mol. Its IUPAC name is 4-[formyl(methyl)amino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[formyl(methyl)amino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
PubChem CID134381873
Molecular FormulaC16H20F3N5O3
Molecular Weight387.36 g/mol
Exact Mass387.15
IUPAC Name4-[formyl(methyl)amino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCC(C)c1cc(CN(C)C(=O)c2c(N(C)C=O)cnn2CC(F)(F)F)on1
InChIInChI=1S/C16H20F3N5O3/c1-10(2)12-5-11(27-21-12)7-22(3)15(26)14-13(23(4)9-25)6-20-24(14)8-16(17,18)19/h5-6,9-10H,7-8H2,1-4H3
InChIKeyIBPUHUFOBJGONF-UHFFFAOYSA-N
XLogP2.42
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[formyl(methyl)amino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-[formyl(methyl)amino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (CID 134381873) is 4-[formyl(methyl)amino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-[formyl(methyl)amino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-[formyl(methyl)amino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is CC(C)c1cc(CN(C)C(=O)c2c(N(C)C=O)cnn2CC(F)(F)F)on1.
What is the InChIKey of 4-[formyl(methyl)amino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The InChIKey is IBPUHUFOBJGONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O3/c1-10(2)12-5-11(27-21-12)7-22(3)15(26)14-13(23(4)9-25)6-20-24(14)8-16(17,18)19/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 4-[formyl(methyl)amino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
4-[formyl(methyl)amino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide has a molecular weight of 387.36 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[formyl(methyl)amino]-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 134381873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).