5-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1,3-dimethylpyrazole-4-carboxamide

C16H19ClN4O3 — CID 33254001

IUPAC5-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2c(C)nn(C)c2Cl)cc1
InChIInChI=1S/C16H19ClN4O3/c1-4-18-13(22)9-24-12-7-5-11(6-8-12)19-16(23)14-10(2)20-21(3)15(14)17/h5-8H,4,9H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyHEYYPDJMVLICEO-UHFFFAOYSA-N
MW350.81 g/mol
LogP2.15
Rot. Bonds6

About 5-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1,3-dimethylpyrazole-4-carboxamide

5-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 33254001) has the molecular formula C16H19ClN4O3 and a molecular weight of 350.81 g/mol. Its IUPAC name is 5-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID33254001
Molecular FormulaC16H19ClN4O3
Molecular Weight350.81 g/mol
Exact Mass350.11
IUPAC Name5-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2c(C)nn(C)c2Cl)cc1
InChIInChI=1S/C16H19ClN4O3/c1-4-18-13(22)9-24-12-7-5-11(6-8-12)19-16(23)14-10(2)20-21(3)15(14)17/h5-8H,4,9H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyHEYYPDJMVLICEO-UHFFFAOYSA-N
XLogP2.15
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1,3-dimethylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 47137680
5-chloro-N-(4-iodophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 18279909
2-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-fluorobenzamide
CID 33255433
5-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 24610680
1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 2489518
5-chloro-N-(3,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 18279655
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-2-carboxamide
CID 32937835
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 32940179
1-benzyl-5-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-methylpyrazole-4-carboxamide
CID 32942611
2-(cyclopropylmethylamino)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]acetamide
CID 119713365
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-hydroxy-5-methylbenzamide
CID 32937197
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-hydroxy-4-methylbenzamide
CID 38497709

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1,3-dimethylpyrazole-4-carboxamide (CID 33254001) is 5-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1,3-dimethylpyrazole-4-carboxamide is CCNC(=O)COc1ccc(NC(=O)c2c(C)nn(C)c2Cl)cc1.
What is the InChIKey of 5-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is HEYYPDJMVLICEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3/c1-4-18-13(22)9-24-12-7-5-11(6-8-12)19-16(23)14-10(2)20-21(3)15(14)17/h5-8H,4,9H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of 5-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1,3-dimethylpyrazole-4-carboxamide?
5-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 350.81 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 33254001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).