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

C14H15F2N3O3 — CID 97245131

IUPAC3-(difluoromethoxy)-4-methoxy-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](C)c2cn[nH]c2)cc1OC(F)F
InChIInChI=1S/C14H15F2N3O3/c1-8(10-6-17-18-7-10)19-13(20)9-3-4-11(21-2)12(5-9)22-14(15)16/h3-8,14H,1-2H3,(H,17,18)(H,19,20)/t8-/m1/s1
InChIKeyBBBDMOJXEMWUCC-MRVPVSSYSA-N
MW311.29 g/mol
LogP2.51
Rot. Bonds6

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

3-(difluoromethoxy)-4-methoxy-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]benzamide (PubChem CID 97245131) has the molecular formula C14H15F2N3O3 and a molecular weight of 311.29 g/mol. Its IUPAC name is 3-(difluoromethoxy)-4-methoxy-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-4-methoxy-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]benzamide
PubChem CID97245131
Molecular FormulaC14H15F2N3O3
Molecular Weight311.29 g/mol
Exact Mass311.11
IUPAC Name3-(difluoromethoxy)-4-methoxy-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](C)c2cn[nH]c2)cc1OC(F)F
InChIInChI=1S/C14H15F2N3O3/c1-8(10-6-17-18-7-10)19-13(20)9-3-4-11(21-2)12(5-9)22-14(15)16/h3-8,14H,1-2H3,(H,17,18)(H,19,20)/t8-/m1/s1
InChIKeyBBBDMOJXEMWUCC-MRVPVSSYSA-N
XLogP2.51
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856038
4-bromo-3,5-dimethoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856688
3-(difluoromethoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118668478
3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 55743462
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide
CID 43874047
4-bromo-N'-[3-(difluoromethoxy)-4-methoxybenzoyl]-1H-pyrrole-2-carbohydrazide
CID 55738000
4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 103856090
4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide
CID 42906041
4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106218102
N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-6-carboxamide
CID 103856354

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-4-methoxy-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-4-methoxy-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]benzamide (CID 97245131) is 3-(difluoromethoxy)-4-methoxy-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-4-methoxy-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-4-methoxy-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]benzamide is COc1ccc(C(=O)N[C@H](C)c2cn[nH]c2)cc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-4-methoxy-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]benzamide?
The InChIKey is BBBDMOJXEMWUCC-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H15F2N3O3/c1-8(10-6-17-18-7-10)19-13(20)9-3-4-11(21-2)12(5-9)22-14(15)16/h3-8,14H,1-2H3,(H,17,18)(H,19,20)/t8-/m1/s1.
What are the key properties of 3-(difluoromethoxy)-4-methoxy-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]benzamide?
3-(difluoromethoxy)-4-methoxy-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]benzamide has a molecular weight of 311.29 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-4-methoxy-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 97245131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).