N-[4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide

C16H16F3N3O3 — CID 19067686

IUPACN-[4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide
SMILESCOc1ccc(NC(=O)C2CC2)c(Oc2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C16H16F3N3O3/c1-22-14(8-13(21-22)16(17,18)19)25-12-7-10(24-2)5-6-11(12)20-15(23)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,20,23)
InChIKeyCPECPMNVUBFNMG-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.59
Rot. Bonds5

About N-[4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide

N-[4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide (PubChem CID 19067686) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is N-[4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide
PubChem CID19067686
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC NameN-[4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide
SMILESCOc1ccc(NC(=O)C2CC2)c(Oc2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C16H16F3N3O3/c1-22-14(8-13(21-22)16(17,18)19)25-12-7-10(24-2)5-6-11(12)20-15(23)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,20,23)
InChIKeyCPECPMNVUBFNMG-UHFFFAOYSA-N
XLogP3.59
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide (CID 19067686) is N-[4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide is COc1ccc(NC(=O)C2CC2)c(Oc2cc(C(F)(F)F)nn2C)c1.
What is the InChIKey of N-[4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide?
The InChIKey is CPECPMNVUBFNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-22-14(8-13(21-22)16(17,18)19)25-12-7-10(24-2)5-6-11(12)20-15(23)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,20,23).
What are the key properties of N-[4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide?
N-[4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide has a molecular weight of 355.32 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 19067686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).