2-(4-chloropyrazol-1-yl)-N-[2-(difluoromethoxy)-5-methylphenyl]propanamide

C14H14ClF2N3O2 — CID 19538556

IUPAC2-(4-chloropyrazol-1-yl)-N-[2-(difluoromethoxy)-5-methylphenyl]propanamide
SMILESCc1ccc(OC(F)F)c(NC(=O)C(C)n2cc(Cl)cn2)c1
InChIInChI=1S/C14H14ClF2N3O2/c1-8-3-4-12(22-14(16)17)11(5-8)19-13(21)9(2)20-7-10(15)6-18-20/h3-7,9,14H,1-2H3,(H,19,21)
InChIKeyGHGALOCUZNTOBT-UHFFFAOYSA-N
MW329.73 g/mol
LogP3.65
Rot. Bonds5

About 2-(4-chloropyrazol-1-yl)-N-[2-(difluoromethoxy)-5-methylphenyl]propanamide

2-(4-chloropyrazol-1-yl)-N-[2-(difluoromethoxy)-5-methylphenyl]propanamide (PubChem CID 19538556) has the molecular formula C14H14ClF2N3O2 and a molecular weight of 329.73 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-[2-(difluoromethoxy)-5-methylphenyl]propanamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-[2-(difluoromethoxy)-5-methylphenyl]propanamide
PubChem CID19538556
Molecular FormulaC14H14ClF2N3O2
Molecular Weight329.73 g/mol
Exact Mass329.07
IUPAC Name2-(4-chloropyrazol-1-yl)-N-[2-(difluoromethoxy)-5-methylphenyl]propanamide
SMILESCc1ccc(OC(F)F)c(NC(=O)C(C)n2cc(Cl)cn2)c1
InChIInChI=1S/C14H14ClF2N3O2/c1-8-3-4-12(22-14(16)17)11(5-8)19-13(21)9(2)20-7-10(15)6-18-20/h3-7,9,14H,1-2H3,(H,19,21)
InChIKeyGHGALOCUZNTOBT-UHFFFAOYSA-N
XLogP3.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.73
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-nitropyrazol-1-yl)butanamide
CID 19551708
N-[2-(difluoromethoxy)-5-methylphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534782
N-(2-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 54909999
4-chloro-N-[2-(difluoromethoxy)-5-methylphenyl]-1-ethylpyrazole-5-carboxamide
CID 19477315
N-(2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 42949038
N-(4-chloro-2-nitrophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 19538442
N-(3-amino-4-fluorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 54909721
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 42947731
N-(4-amino-2,6-dichlorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 61036168
(2R)-2-(4-chloropyrazol-1-yl)-1-(4-methylphenyl)propan-1-one
CID 93455407
2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 19533348
2-(4-chloropyrazol-1-yl)-N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 46969430

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[2-(difluoromethoxy)-5-methylphenyl]propanamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[2-(difluoromethoxy)-5-methylphenyl]propanamide (CID 19538556) is 2-(4-chloropyrazol-1-yl)-N-[2-(difluoromethoxy)-5-methylphenyl]propanamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-[2-(difluoromethoxy)-5-methylphenyl]propanamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-[2-(difluoromethoxy)-5-methylphenyl]propanamide is Cc1ccc(OC(F)F)c(NC(=O)C(C)n2cc(Cl)cn2)c1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-[2-(difluoromethoxy)-5-methylphenyl]propanamide?
The InChIKey is GHGALOCUZNTOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2N3O2/c1-8-3-4-12(22-14(16)17)11(5-8)19-13(21)9(2)20-7-10(15)6-18-20/h3-7,9,14H,1-2H3,(H,19,21).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-[2-(difluoromethoxy)-5-methylphenyl]propanamide?
2-(4-chloropyrazol-1-yl)-N-[2-(difluoromethoxy)-5-methylphenyl]propanamide has a molecular weight of 329.73 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-[2-(difluoromethoxy)-5-methylphenyl]propanamide is sourced from PubChem (CID 19538556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).