ethyl 7-(2-chloro-4-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylate

C16H15ClN4O2 — CID 71178929

IUPACethyl 7-(2-chloro-4-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2ccnn2c1Nc1ccc(C)cc1Cl
InChIInChI=1S/C16H15ClN4O2/c1-3-23-16(22)11-9-18-14-6-7-19-21(14)15(11)20-13-5-4-10(2)8-12(13)17/h4-9,20H,3H2,1-2H3
InChIKeyRVBPMTRTCGZWSP-UHFFFAOYSA-N
MW330.78 g/mol
LogP3.61
Rot. Bonds4

About ethyl 7-(2-chloro-4-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-(2-chloro-4-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 71178929) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is ethyl 7-(2-chloro-4-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-(2-chloro-4-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID71178929
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Nameethyl 7-(2-chloro-4-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2ccnn2c1Nc1ccc(C)cc1Cl
InChIInChI=1S/C16H15ClN4O2/c1-3-23-16(22)11-9-18-14-6-7-19-21(14)15(11)20-13-5-4-10(2)8-12(13)17/h4-9,20H,3H2,1-2H3
InChIKeyRVBPMTRTCGZWSP-UHFFFAOYSA-N
XLogP3.61
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2-chloro-4-methylanilino)-6-ethoxycarbonylpyrazolo[1,5-a]pyrimidine-3-sulfonic acid
CID 89346586
(2-chloro-4-methylanilino) pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 154326690
ethyl 4-amino-2-[2-(2-chloro-4-methylanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
CID 6624917
ethyl 3-(2-chloro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 143636100
3-O-ethyl 6-O-methyl 7-(4-methylanilino)pyrazolo[1,5-a]pyrimidine-3,6-dicarboxylate
CID 67540411
ethyl 3-(tert-butylsulfamoyl)-7-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 71179019
ethyl 5-[(2-chloro-4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 27372846
ethyl 2-[[2-(2-chloro-4-methylanilino)acetyl]amino]benzoate
CID 9099399
ethyl 2-amino-5-(2,4-dichloroanilino)benzoate
CID 63425547
ethyl 4-chloro-2-(4-methyl-2-pyridinyl)pyrimidine-5-carboxylate
CID 114213771
ethyl 3,7-dichloropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 131526354
N-(2-chloro-4-methylphenyl)-6-ethoxypyridine-3-carboxamide
CID 46488346

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(2-chloro-4-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-(2-chloro-4-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 71178929) is ethyl 7-(2-chloro-4-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-(2-chloro-4-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-(2-chloro-4-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2ccnn2c1Nc1ccc(C)cc1Cl.
What is the InChIKey of ethyl 7-(2-chloro-4-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is RVBPMTRTCGZWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-3-23-16(22)11-9-18-14-6-7-19-21(14)15(11)20-13-5-4-10(2)8-12(13)17/h4-9,20H,3H2,1-2H3.
What are the key properties of ethyl 7-(2-chloro-4-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-(2-chloro-4-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 330.78 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(2-chloro-4-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 71178929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).