N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide

C16H19F2N3O2 — CID 118775393

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide
SMILESCC(C)(C)c1cc(CNC(=O)c2cccc(OC(F)F)c2)[nH]n1
InChIInChI=1S/C16H19F2N3O2/c1-16(2,3)13-8-11(20-21-13)9-19-14(22)10-5-4-6-12(7-10)23-15(17)18/h4-8,15H,9H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyFONNABXWGWNBFW-UHFFFAOYSA-N
MW323.34 g/mol
LogP3.24
Rot. Bonds5

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide (PubChem CID 118775393) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide
PubChem CID118775393
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide
SMILESCC(C)(C)c1cc(CNC(=O)c2cccc(OC(F)F)c2)[nH]n1
InChIInChI=1S/C16H19F2N3O2/c1-16(2,3)13-8-11(20-21-13)9-19-14(22)10-5-4-6-12(7-10)23-15(17)18/h4-8,15H,9H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyFONNABXWGWNBFW-UHFFFAOYSA-N
XLogP3.24
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethoxy)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736173
N-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide
CID 2092118
3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide
CID 60653229
3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 2675191
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide
CID 19296446
N-(1-bromo-2-methylpropan-2-yl)-3-(difluoromethoxy)benzamide
CID 114308024
(2R)-2-[[3-(difluoromethoxy)benzoyl]amino]-3,3-dimethylbutanoic acid
CID 103926956
N-(2-bromo-3-ethylpentyl)-3-(difluoromethoxy)benzamide
CID 106288562
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-fluoroquinoline-2-carboxamide
CID 50981969
N-(3,3-difluoro-2-hydroxypropyl)-3-(difluoromethoxy)benzamide
CID 103769717
4-[[3-(difluoromethoxy)benzoyl]amino]-2-hydroxybutanoic acid
CID 107832660

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide (CID 118775393) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide is CC(C)(C)c1cc(CNC(=O)c2cccc(OC(F)F)c2)[nH]n1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide?
The InChIKey is FONNABXWGWNBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c1-16(2,3)13-8-11(20-21-13)9-19-14(22)10-5-4-6-12(7-10)23-15(17)18/h4-8,15H,9H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide has a molecular weight of 323.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 118775393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).