1-(2-amino-2-oxoethyl)-4-chloro-N-(2,5-dimethoxyphenyl)pyrazole-3-carboxamide

C14H15ClN4O4 — CID 19614774

IUPAC1-(2-amino-2-oxoethyl)-4-chloro-N-(2,5-dimethoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2nn(CC(N)=O)cc2Cl)c1
InChIInChI=1S/C14H15ClN4O4/c1-22-8-3-4-11(23-2)10(5-8)17-14(21)13-9(15)6-19(18-13)7-12(16)20/h3-6H,7H2,1-2H3,(H2,16,20)(H,17,21)
InChIKeyWZDZDZOTTADTGC-UHFFFAOYSA-N
MW338.75 g/mol
LogP1.29
Rot. Bonds6

About 1-(2-amino-2-oxoethyl)-4-chloro-N-(2,5-dimethoxyphenyl)pyrazole-3-carboxamide

1-(2-amino-2-oxoethyl)-4-chloro-N-(2,5-dimethoxyphenyl)pyrazole-3-carboxamide (PubChem CID 19614774) has the molecular formula C14H15ClN4O4 and a molecular weight of 338.75 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-4-chloro-N-(2,5-dimethoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-4-chloro-N-(2,5-dimethoxyphenyl)pyrazole-3-carboxamide
PubChem CID19614774
Molecular FormulaC14H15ClN4O4
Molecular Weight338.75 g/mol
Exact Mass338.08
IUPAC Name1-(2-amino-2-oxoethyl)-4-chloro-N-(2,5-dimethoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2nn(CC(N)=O)cc2Cl)c1
InChIInChI=1S/C14H15ClN4O4/c1-22-8-3-4-11(23-2)10(5-8)17-14(21)13-9(15)6-19(18-13)7-12(16)20/h3-6H,7H2,1-2H3,(H2,16,20)(H,17,21)
InChIKeyWZDZDZOTTADTGC-UHFFFAOYSA-N
XLogP1.29
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide
CID 19263279
2-(4-aminopyrazol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 43445334
4-chloro-N-(2,5-dimethoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 4278668
6-chloro-N-(2,5-dimethoxyphenyl)imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051171
N-(2,5-dimethoxyphenyl)-6-methoxypyridazine-3-carboxamide
CID 90509292
5-amino-1-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide
CID 27261436
4-chloro-1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
CID 39855114
4-amino-N-(2,5-dimethoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688302
1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-(methoxymethyl)triazole-4-carboxamide
CID 16651925
3-[(2,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866752
2-chloro-N-(2,5-dimethoxyphenyl)-5-pyrrol-1-ylbenzamide
CID 39336179
2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 19518329

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-4-chloro-N-(2,5-dimethoxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-4-chloro-N-(2,5-dimethoxyphenyl)pyrazole-3-carboxamide (CID 19614774) is 1-(2-amino-2-oxoethyl)-4-chloro-N-(2,5-dimethoxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-4-chloro-N-(2,5-dimethoxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-4-chloro-N-(2,5-dimethoxyphenyl)pyrazole-3-carboxamide is COc1ccc(OC)c(NC(=O)c2nn(CC(N)=O)cc2Cl)c1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-4-chloro-N-(2,5-dimethoxyphenyl)pyrazole-3-carboxamide?
The InChIKey is WZDZDZOTTADTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O4/c1-22-8-3-4-11(23-2)10(5-8)17-14(21)13-9(15)6-19(18-13)7-12(16)20/h3-6H,7H2,1-2H3,(H2,16,20)(H,17,21).
What are the key properties of 1-(2-amino-2-oxoethyl)-4-chloro-N-(2,5-dimethoxyphenyl)pyrazole-3-carboxamide?
1-(2-amino-2-oxoethyl)-4-chloro-N-(2,5-dimethoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 338.75 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-4-chloro-N-(2,5-dimethoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19614774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).