methyl 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate

C14H11ClN4O2 — CID 1481755

IUPACmethyl 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cnc2c(-c3ccc(Cl)cc3)cnn2c1N
InChIInChI=1S/C14H11ClN4O2/c1-21-14(20)11-6-17-13-10(7-18-19(13)12(11)16)8-2-4-9(15)5-3-8/h2-7H,16H2,1H3
InChIKeyNZPPYVPRGGITKZ-UHFFFAOYSA-N
MW302.72 g/mol
LogP2.42
Rot. Bonds2

About methyl 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate

methyl 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 1481755) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is methyl 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID1481755
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC Namemethyl 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cnc2c(-c3ccc(Cl)cc3)cnn2c1N
InChIInChI=1S/C14H11ClN4O2/c1-21-14(20)11-6-17-13-10(7-18-19(13)12(11)16)8-2-4-9(15)5-3-8/h2-7H,16H2,1H3
InChIKeyNZPPYVPRGGITKZ-UHFFFAOYSA-N
XLogP2.42
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 7-amino-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 53367635
3-(4-chlorophenyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1477911
7-amino-3-phenyl-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 53370765
ethyl 3-(3-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 10041419
N-[(2R)-1-methoxypropan-2-yl]-7-methyl-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 57387599
methyl 4-chloro-2-(4-chlorophenyl)pyrimidine-5-carboxylate
CID 82169038
3-(4-chlorophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 56921519
ethyl 3-(4-chlorophenyl)-7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 126142439
3-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 56922227
3-(4-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 45496385
methyl 7-amino-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 28935045
methyl 5-amino-1-(5-chloro-2-hydroxyphenyl)pyrazole-4-carboxylate
CID 82365471

Frequently Asked Questions

What is the IUPAC name of methyl 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 1481755) is methyl 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate is COC(=O)c1cnc2c(-c3ccc(Cl)cc3)cnn2c1N.
What is the InChIKey of methyl 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is NZPPYVPRGGITKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c1-21-14(20)11-6-17-13-10(7-18-19(13)12(11)16)8-2-4-9(15)5-3-8/h2-7H,16H2,1H3.
What are the key properties of methyl 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
methyl 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 302.72 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-amino-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 1481755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).