ethyl 3-(tert-butylamino)-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxylate

C18H21ClN4O2 — CID 53380589

IUPACethyl 3-(tert-butylamino)-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxylate
SMILESCCOC(=O)c1c[nH]n2c(NC(C)(C)C)c(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C18H21ClN4O2/c1-5-25-17(24)13-10-20-23-15(13)21-14(16(23)22-18(2,3)4)11-6-8-12(19)9-7-11/h6-10,20,22H,5H2,1-4H3
InChIKeyDTMJQISUSNMETB-UHFFFAOYSA-N
MW360.85 g/mol
LogP4.37
Rot. Bonds4

About ethyl 3-(tert-butylamino)-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxylate

ethyl 3-(tert-butylamino)-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxylate (PubChem CID 53380589) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is ethyl 3-(tert-butylamino)-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxylate.

Molecular Properties

Compound Nameethyl 3-(tert-butylamino)-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxylate
PubChem CID53380589
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Nameethyl 3-(tert-butylamino)-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxylate
SMILESCCOC(=O)c1c[nH]n2c(NC(C)(C)C)c(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C18H21ClN4O2/c1-5-25-17(24)13-10-20-23-15(13)21-14(16(23)22-18(2,3)4)11-6-8-12(19)9-7-11/h6-10,20,22H,5H2,1-4H3
InChIKeyDTMJQISUSNMETB-UHFFFAOYSA-N
XLogP4.37
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 90110858
ethyl 6-benzyl-5-chloro-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 54768557
ethyl 2-[[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 83282409
ethyl 4-[3,6-dichloro-5-(4-chlorophenyl)pyrazin-2-yl]benzoate
CID 131866480
diethyl 4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate
CID 139267074
CID 171352742
CID 171352742
ethyl 5-[4-(1,1-difluoroprop-2-enyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 162614062
ethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate
CID 116532919
ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
CID 22831657
ethyl 2-bromo-4-(4-chlorophenyl)-1,3-thiazole-5-carboxylate
CID 39732279
diethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate
CID 122366670
ethyl 6-(4-chlorophenyl)-5-cyano-2-methylpyridine-3-carboxylate
CID 123633376

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(tert-butylamino)-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxylate?
The IUPAC name of ethyl 3-(tert-butylamino)-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxylate (CID 53380589) is ethyl 3-(tert-butylamino)-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxylate.
What is the SMILES notation for ethyl 3-(tert-butylamino)-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxylate?
The canonical SMILES for ethyl 3-(tert-butylamino)-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxylate is CCOC(=O)c1c[nH]n2c(NC(C)(C)C)c(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of ethyl 3-(tert-butylamino)-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxylate?
The InChIKey is DTMJQISUSNMETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-5-25-17(24)13-10-20-23-15(13)21-14(16(23)22-18(2,3)4)11-6-8-12(19)9-7-11/h6-10,20,22H,5H2,1-4H3.
What are the key properties of ethyl 3-(tert-butylamino)-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxylate?
ethyl 3-(tert-butylamino)-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxylate has a molecular weight of 360.85 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(tert-butylamino)-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazole-7-carboxylate is sourced from PubChem (CID 53380589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).