3-(difluoromethoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide

C20H19F2N3O2 — CID 118668478

IUPAC3-(difluoromethoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(OC(F)F)c2)cc1
InChIInChI=1S/C20H19F2N3O2/c1-12-3-5-14(6-4-12)13(2)25-19(26)15-7-8-17(16-10-23-24-11-16)18(9-15)27-20(21)22/h3-11,13,20H,1-2H3,(H,23,24)(H,25,26)/t13-/m1/s1
InChIKeyGLJCHZXXWOWIBW-CYBMUJFWSA-N
MW371.39 g/mol
LogP4.48
Rot. Bonds6

About 3-(difluoromethoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide

3-(difluoromethoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 118668478) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
PubChem CID118668478
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name3-(difluoromethoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(OC(F)F)c2)cc1
InChIInChI=1S/C20H19F2N3O2/c1-12-3-5-14(6-4-12)13(2)25-19(26)15-7-8-17(16-10-23-24-11-16)18(9-15)27-20(21)22/h3-11,13,20H,1-2H3,(H,23,24)(H,25,26)/t13-/m1/s1
InChIKeyGLJCHZXXWOWIBW-CYBMUJFWSA-N
XLogP4.48
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethoxy)-4-methoxy-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 97245131
methyl 3-(difluoromethoxy)-4-(1H-pyrazol-4-yl)benzoate
CID 90376432
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-hydroxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662948
3-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 85469693
3-methoxy-N-(1-naphthalen-2-ylethyl)-4-(1H-pyrazol-4-yl)benzamide
CID 90354155
3-(dimethylamino)-N-[1-(4-fluorophenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 90375300
3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856038
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 90354062
N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 39991399
3-methylsulfonyl-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118663049
3-methoxy-N-[(1R)-1-naphthalen-1-ylethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118663073
6-(4-fluorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 93070978

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide (CID 118668478) is 3-(difluoromethoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide is Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3cn[nH]c3)c(OC(F)F)c2)cc1.
What is the InChIKey of 3-(difluoromethoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is GLJCHZXXWOWIBW-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-12-3-5-14(6-4-12)13(2)25-19(26)15-7-8-17(16-10-23-24-11-16)18(9-15)27-20(21)22/h3-11,13,20H,1-2H3,(H,23,24)(H,25,26)/t13-/m1/s1.
What are the key properties of 3-(difluoromethoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide?
3-(difluoromethoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 371.39 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 118668478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).