N-ethyl-N-[[2-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide

C17H18F3N3O — CID 68627380

IUPACN-ethyl-N-[[2-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide
SMILESCCN(Cc1cc(C(F)(F)F)ccc1-c1cn[nH]c1)C(=O)C1CC1
InChIInChI=1S/C17H18F3N3O/c1-2-23(16(24)11-3-4-11)10-12-7-14(17(18,19)20)5-6-15(12)13-8-21-22-9-13/h5-9,11H,2-4,10H2,1H3,(H,21,22)
InChIKeyCTQJAUGWBAUSHJ-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.85
Rot. Bonds5

About N-ethyl-N-[[2-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide

N-ethyl-N-[[2-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide (PubChem CID 68627380) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is N-ethyl-N-[[2-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[2-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide
PubChem CID68627380
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC NameN-ethyl-N-[[2-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide
SMILESCCN(Cc1cc(C(F)(F)F)ccc1-c1cn[nH]c1)C(=O)C1CC1
InChIInChI=1S/C17H18F3N3O/c1-2-23(16(24)11-3-4-11)10-12-7-14(17(18,19)20)5-6-15(12)13-8-21-22-9-13/h5-9,11H,2-4,10H2,1H3,(H,21,22)
InChIKeyCTQJAUGWBAUSHJ-UHFFFAOYSA-N
XLogP3.85
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-ethyl-N-[[2-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide (CID 68627380) is N-ethyl-N-[[2-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-ethyl-N-[[2-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-ethyl-N-[[2-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide is CCN(Cc1cc(C(F)(F)F)ccc1-c1cn[nH]c1)C(=O)C1CC1.
What is the InChIKey of N-ethyl-N-[[2-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide?
The InChIKey is CTQJAUGWBAUSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-2-23(16(24)11-3-4-11)10-12-7-14(17(18,19)20)5-6-15(12)13-8-21-22-9-13/h5-9,11H,2-4,10H2,1H3,(H,21,22).
What are the key properties of N-ethyl-N-[[2-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide?
N-ethyl-N-[[2-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide has a molecular weight of 337.35 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 68627380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).