2-hydroxy-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide

C22H20F3N3O2 — CID 138994269

IUPAC2-hydroxy-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESO=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1(O)CCc2ccccc2C1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)19-10-12-28(27-19)18-7-5-15(6-8-18)14-26-20(29)21(30)11-9-16-3-1-2-4-17(16)13-21/h1-8,10,12,30H,9,11,13-14H2,(H,26,29)
InChIKeyUMHCPGXADDMRIT-UHFFFAOYSA-N
MW415.42 g/mol
LogP3.43
Rot. Bonds4

About 2-hydroxy-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide

2-hydroxy-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide (PubChem CID 138994269) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is 2-hydroxy-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide
PubChem CID138994269
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name2-hydroxy-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESO=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1(O)CCc2ccccc2C1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)19-10-12-28(27-19)18-7-5-15(6-8-18)14-26-20(29)21(30)11-9-16-3-1-2-4-17(16)13-21/h1-8,10,12,30H,9,11,13-14H2,(H,26,29)
InChIKeyUMHCPGXADDMRIT-UHFFFAOYSA-N
XLogP3.43
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]thiolane-3-carboxamide
CID 102553752
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CID 120625185
4-(methylamino)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride
CID 119746075
N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 136530222
3-amino-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride
CID 119746103
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CID 119746107
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CID 86957820
N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 166325010
N-(3-hydroxypropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 110904260
N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]oxan-4-amine
CID 154833594
2-cyclopropyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]propan-1-ol
CID 111977142
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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide?
The IUPAC name of 2-hydroxy-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide (CID 138994269) is 2-hydroxy-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide.
What is the SMILES notation for 2-hydroxy-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide?
The canonical SMILES for 2-hydroxy-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide is O=C(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1(O)CCc2ccccc2C1.
What is the InChIKey of 2-hydroxy-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide?
The InChIKey is UMHCPGXADDMRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c23-22(24,25)19-10-12-28(27-19)18-7-5-15(6-8-18)14-26-20(29)21(30)11-9-16-3-1-2-4-17(16)13-21/h1-8,10,12,30H,9,11,13-14H2,(H,26,29).
What are the key properties of 2-hydroxy-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide?
2-hydroxy-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide has a molecular weight of 415.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide is sourced from PubChem (CID 138994269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).