2-propan-2-yl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide

C16H18F3N3O2 — CID 136515447

IUPAC2-propan-2-yl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C16H18F3N3O2/c1-11(2)22-14(7-8-21-22)15(23)20-9-12-3-5-13(6-4-12)24-10-16(17,18)19/h3-8,11H,9-10H2,1-2H3,(H,20,23)
InChIKeyXGQLMXCZQIVYJN-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.34
Rot. Bonds6

About 2-propan-2-yl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide

2-propan-2-yl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide (PubChem CID 136515447) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 2-propan-2-yl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-propan-2-yl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide
PubChem CID136515447
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name2-propan-2-yl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C16H18F3N3O2/c1-11(2)22-14(7-8-21-22)15(23)20-9-12-3-5-13(6-4-12)24-10-16(17,18)19/h3-8,11H,9-10H2,1-2H3,(H,20,23)
InChIKeyXGQLMXCZQIVYJN-UHFFFAOYSA-N
XLogP3.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]furan-3-carboxamide
CID 18149564
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119277641
2-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide
CID 19506738
3,5-difluoro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30293255
2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60718885
2-bromo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 55257440
(2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
CID 119701662
6-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazine-2-carboxamide
CID 174836862
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119277633
2-(4-fluorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 43042680
4-(1,2,4-triazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 18286168

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 2-propan-2-yl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide (CID 136515447) is 2-propan-2-yl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-propan-2-yl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-propan-2-yl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide is CC(C)n1nccc1C(=O)NCc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 2-propan-2-yl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide?
The InChIKey is XGQLMXCZQIVYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-11(2)22-14(7-8-21-22)15(23)20-9-12-3-5-13(6-4-12)24-10-16(17,18)19/h3-8,11H,9-10H2,1-2H3,(H,20,23).
What are the key properties of 2-propan-2-yl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide?
2-propan-2-yl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide has a molecular weight of 341.33 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 136515447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).