1-(2-hydroxyethyl)-3-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

C17H20F3N3O3 — CID 69315839

IUPAC1-(2-hydroxyethyl)-3-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCC(C)Oc1nn(CCO)cc1C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H20F3N3O3/c1-11(2)26-16-14(10-23(22-16)7-8-24)15(25)21-9-12-3-5-13(6-4-12)17(18,19)20/h3-6,10-11,24H,7-9H2,1-2H3,(H,21,25)
InChIKeyVYBILJFFRIZIMA-UHFFFAOYSA-N
MW371.36 g/mol
LogP2.61
Rot. Bonds7

About 1-(2-hydroxyethyl)-3-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

1-(2-hydroxyethyl)-3-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 69315839) has the molecular formula C17H20F3N3O3 and a molecular weight of 371.36 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID69315839
Molecular FormulaC17H20F3N3O3
Molecular Weight371.36 g/mol
Exact Mass371.15
IUPAC Name1-(2-hydroxyethyl)-3-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCC(C)Oc1nn(CCO)cc1C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H20F3N3O3/c1-11(2)26-16-14(10-23(22-16)7-8-24)15(25)21-9-12-3-5-13(6-4-12)17(18,19)20/h3-6,10-11,24H,7-9H2,1-2H3,(H,21,25)
InChIKeyVYBILJFFRIZIMA-UHFFFAOYSA-N
XLogP2.61
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 71548055
N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 71822293
2-hydroxy-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 31694167
3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-dicarboxamide
CID 25290675
1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 110894292
2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 53152267
3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480479
2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 25402935
2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 106686763
N-[(4-methoxyphenyl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 53080240
2,3-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 143478506
2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60699275

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-3-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 69315839) is 1-(2-hydroxyethyl)-3-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-3-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is CC(C)Oc1nn(CCO)cc1C(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is VYBILJFFRIZIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O3/c1-11(2)26-16-14(10-23(22-16)7-8-24)15(25)21-9-12-3-5-13(6-4-12)17(18,19)20/h3-6,10-11,24H,7-9H2,1-2H3,(H,21,25).
What are the key properties of 1-(2-hydroxyethyl)-3-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
1-(2-hydroxyethyl)-3-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 371.36 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 69315839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).