2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C17H20ClF2N3O3 — CID 19517423

IUPAC2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2nc(C(F)F)c(Cl)c2C)cc1OC
InChIInChI=1S/C17H20ClF2N3O3/c1-10-15(18)16(17(19)20)22-23(10)9-14(24)21-7-6-11-4-5-12(25-2)13(8-11)26-3/h4-5,8,17H,6-7,9H2,1-3H3,(H,21,24)
InChIKeyFHEVFFAVVJMXNR-UHFFFAOYSA-N
MW387.81 g/mol
LogP3.16
Rot. Bonds8

About 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 19517423) has the molecular formula C17H20ClF2N3O3 and a molecular weight of 387.81 g/mol. Its IUPAC name is 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID19517423
Molecular FormulaC17H20ClF2N3O3
Molecular Weight387.81 g/mol
Exact Mass387.12
IUPAC Name2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2nc(C(F)F)c(Cl)c2C)cc1OC
InChIInChI=1S/C17H20ClF2N3O3/c1-10-15(18)16(17(19)20)22-23(10)9-14(24)21-7-6-11-4-5-12(25-2)13(8-11)26-3/h4-5,8,17H,6-7,9H2,1-3H3,(H,21,24)
InChIKeyFHEVFFAVVJMXNR-UHFFFAOYSA-N
XLogP3.16
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.81
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 19543667
5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 19468243
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6620516
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 3408500
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)acetamide
CID 53090734
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxopyrazolo[3,4-d]pyridazin-6-yl]acetamide
CID 20919823
2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 10496902
N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide
CID 19860206
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2587547
3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2365750
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 19517423) is 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)Cn2nc(C(F)F)c(Cl)c2C)cc1OC.
What is the InChIKey of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is FHEVFFAVVJMXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClF2N3O3/c1-10-15(18)16(17(19)20)22-23(10)9-14(24)21-7-6-11-4-5-12(25-2)13(8-11)26-3/h4-5,8,17H,6-7,9H2,1-3H3,(H,21,24).
What are the key properties of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 387.81 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 19517423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).