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

C16H16F3N3O2 — CID 19067678

IUPACN-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)c(Oc2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C16H16F3N3O2/c1-9-3-6-11(20-15(23)10-4-5-10)12(7-9)24-14-8-13(16(17,18)19)21-22(14)2/h3,6-8,10H,4-5H2,1-2H3,(H,20,23)
InChIKeyRBCNDQCVBVWZHA-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.89
Rot. Bonds4

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

N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide (PubChem CID 19067678) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide
PubChem CID19067678
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC NameN-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)c(Oc2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C16H16F3N3O2/c1-9-3-6-11(20-15(23)10-4-5-10)12(7-9)24-14-8-13(16(17,18)19)21-22(14)2/h3,6-8,10H,4-5H2,1-2H3,(H,20,23)
InChIKeyRBCNDQCVBVWZHA-UHFFFAOYSA-N
XLogP3.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide (CID 19067678) is N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide is Cc1ccc(NC(=O)C2CC2)c(Oc2cc(C(F)(F)F)nn2C)c1.
What is the InChIKey of N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide?
The InChIKey is RBCNDQCVBVWZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-9-3-6-11(20-15(23)10-4-5-10)12(7-9)24-14-8-13(16(17,18)19)21-22(14)2/h3,6-8,10H,4-5H2,1-2H3,(H,20,23).
What are the key properties of N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide?
N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide has a molecular weight of 339.32 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 19067678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).