methyl 2-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate

C15H11ClN4O3 — CID 1257692

IUPACmethyl 2-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1nn2cccnc2c1Cl
InChIInChI=1S/C15H11ClN4O3/c1-23-15(22)9-5-2-3-6-10(9)18-14(21)12-11(16)13-17-7-4-8-20(13)19-12/h2-8H,1H3,(H,18,21)
InChIKeyXGQFDJXDKPYOHK-UHFFFAOYSA-N
MW330.73 g/mol
LogP2.42
Rot. Bonds3

About methyl 2-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate

methyl 2-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate (PubChem CID 1257692) has the molecular formula C15H11ClN4O3 and a molecular weight of 330.73 g/mol. Its IUPAC name is methyl 2-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate
PubChem CID1257692
Molecular FormulaC15H11ClN4O3
Molecular Weight330.73 g/mol
Exact Mass330.05
IUPAC Namemethyl 2-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1nn2cccnc2c1Cl
InChIInChI=1S/C15H11ClN4O3/c1-23-15(22)9-5-2-3-6-10(9)18-14(21)12-11(16)13-17-7-4-8-20(13)19-12/h2-8H,1H3,(H,18,21)
InChIKeyXGQFDJXDKPYOHK-UHFFFAOYSA-N
XLogP2.42
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.73
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-(2-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4867160
3-chloro-N-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1259509
3-chloro-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 5241863
methyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)benzoate
CID 821880
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
3-chloro-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 5241864
4-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoic acid
CID 5253531
3-chloro-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1256890
methyl 2-[(1-methylimidazole-4-carbonyl)amino]benzoate
CID 103858088
methyl 2-(isoquinoline-1-carbonylamino)benzoate
CID 110861602
methyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate
CID 103754028
(4-phenylphenyl) 3-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 167907964

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate (CID 1257692) is methyl 2-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1nn2cccnc2c1Cl.
What is the InChIKey of methyl 2-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate?
The InChIKey is XGQFDJXDKPYOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O3/c1-23-15(22)9-5-2-3-6-10(9)18-14(21)12-11(16)13-17-7-4-8-20(13)19-12/h2-8H,1H3,(H,18,21).
What are the key properties of methyl 2-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate?
methyl 2-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate has a molecular weight of 330.73 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate is sourced from PubChem (CID 1257692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).