N-(2-butan-2-ylpyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]propanamide

C17H21F2N3O2 — CID 78848125

IUPACN-(2-butan-2-ylpyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]propanamide
SMILESCCC(C)n1nccc1NC(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H21F2N3O2/c1-3-12(2)22-15(10-11-20-22)21-16(23)9-6-13-4-7-14(8-5-13)24-17(18)19/h4-5,7-8,10-12,17H,3,6,9H2,1-2H3,(H,21,23)
InChIKeyZQQDVCJOMPUXIZ-UHFFFAOYSA-N
MW337.37 g/mol
LogP4.03
Rot. Bonds8

About N-(2-butan-2-ylpyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]propanamide

N-(2-butan-2-ylpyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]propanamide (PubChem CID 78848125) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is N-(2-butan-2-ylpyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound NameN-(2-butan-2-ylpyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]propanamide
PubChem CID78848125
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC NameN-(2-butan-2-ylpyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]propanamide
SMILESCCC(C)n1nccc1NC(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H21F2N3O2/c1-3-12(2)22-15(10-11-20-22)21-16(23)9-6-13-4-7-14(8-5-13)24-17(18)19/h4-5,7-8,10-12,17H,3,6,9H2,1-2H3,(H,21,23)
InChIKeyZQQDVCJOMPUXIZ-UHFFFAOYSA-N
XLogP4.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[3-(difluoromethoxy)phenyl]acetamide
CID 95615142
2-[4-(difluoromethoxy)phenyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30183967
N-[4-(difluoromethoxy)phenyl]-3-(4-ethylphenyl)propanamide
CID 9427794
3-(4-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 30186728
5-[3-[4-(difluoromethoxy)phenyl]propanoylamino]-N-methyl-2H-triazole-4-carboxamide
CID 154742273
3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide
CID 110886635
2-[3-[4-(difluoromethoxy)phenyl]propanoylamino]propanoic acid
CID 119225804
N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide
CID 56725907
N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide
CID 87023937
N-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide
CID 120507742
(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(4-nitrophenoxy)propanamide
CID 40674507
3-[4-(difluoromethoxy)phenyl]-N-methylsulfonylpropanamide
CID 146154209

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]propanamide?
The IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]propanamide (CID 78848125) is N-(2-butan-2-ylpyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]propanamide.
What is the SMILES notation for N-(2-butan-2-ylpyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]propanamide?
The canonical SMILES for N-(2-butan-2-ylpyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]propanamide is CCC(C)n1nccc1NC(=O)CCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-(2-butan-2-ylpyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]propanamide?
The InChIKey is ZQQDVCJOMPUXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c1-3-12(2)22-15(10-11-20-22)21-16(23)9-6-13-4-7-14(8-5-13)24-17(18)19/h4-5,7-8,10-12,17H,3,6,9H2,1-2H3,(H,21,23).
What are the key properties of N-(2-butan-2-ylpyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]propanamide?
N-(2-butan-2-ylpyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]propanamide has a molecular weight of 337.37 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylpyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 78848125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).