3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

C21H18ClN3O — CID 56738017

IUPAC3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOCc1nn2c(-c3ccc(C)cc3)ccnc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN3O/c1-14-3-5-15(6-4-14)19-11-12-23-21-20(16-7-9-17(22)10-8-16)18(13-26-2)24-25(19)21/h3-12H,13H2,1-2H3
InChIKeyODJXFYNBEBMOBU-UHFFFAOYSA-N
MW363.85 g/mol
LogP5.17
Rot. Bonds4

About 3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 56738017) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID56738017
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC Name3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOCc1nn2c(-c3ccc(C)cc3)ccnc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN3O/c1-14-3-5-15(6-4-14)19-11-12-23-21-20(16-7-9-17(22)10-8-16)18(13-26-2)24-25(19)21/h3-12H,13H2,1-2H3
InChIKeyODJXFYNBEBMOBU-UHFFFAOYSA-N
XLogP5.17
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.85
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-Tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 1851774
2-(Methoxymethyl)-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2236969
Ethyl 2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-(4-methylphenyl)propanoate
CID 66964600
6-chloro-N,N-dimethyl-2-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)quinazolin-4-amine
CID 165415105
7-(4-Chlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 900914
4-(3-(4-Chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 1862008
7-Amino-2-(methoxymethyl)-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2235995
[3-(4-Chlorophenyl)-7-(dipropylamino)-5-methylpyrazolo[1,5-a]pyrimidin-2-yl]methanol
CID 44347356
1'-[[1-(6-chloro-2-pyridinyl)-3-methylpyrazol-4-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561451
1'-[[1-(5-chloro-2-pyridinyl)-3-methylpyrazol-4-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561452
1'-[[1-(3-chloro-2-pyridinyl)-3-methylpyrazol-4-yl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561454
[4-[6-(3-Chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 155563586

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine (CID 56738017) is 3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine is COCc1nn2c(-c3ccc(C)cc3)ccnc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is ODJXFYNBEBMOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c1-14-3-5-15(6-4-14)19-11-12-23-21-20(16-7-9-17(22)10-8-16)18(13-26-2)24-25(19)21/h3-12H,13H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 363.85 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 56738017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).