7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine

C24H21Cl2N3O2 — CID 24775943

IUPAC7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3cc(-c4cc(Cl)ccc4Cl)nn23)cc1OC1CCCC1
InChIInChI=1S/C24H21Cl2N3O2/c1-30-22-9-6-15(12-23(22)31-17-4-2-3-5-17)21-10-11-27-24-14-20(28-29(21)24)18-13-16(25)7-8-19(18)26/h6-14,17H,2-5H2,1H3
InChIKeyGGGNXORJESILCC-UHFFFAOYSA-N
MW454.36 g/mol
LogP6.70
Rot. Bonds5

About 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine

7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 24775943) has the molecular formula C24H21Cl2N3O2 and a molecular weight of 454.36 g/mol. Its IUPAC name is 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID24775943
Molecular FormulaC24H21Cl2N3O2
Molecular Weight454.36 g/mol
Exact Mass453.10
IUPAC Name7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3cc(-c4cc(Cl)ccc4Cl)nn23)cc1OC1CCCC1
InChIInChI=1S/C24H21Cl2N3O2/c1-30-22-9-6-15(12-23(22)31-17-4-2-3-5-17)21-10-11-27-24-14-20(28-29(21)24)18-13-16(25)7-8-19(18)26/h6-14,17H,2-5H2,1H3
InChIKeyGGGNXORJESILCC-UHFFFAOYSA-N
XLogP6.70
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.36
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Tubulin inhibitor 24
CID 155804415
5-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 3701632
3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1851747
6-(3-Chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16422008
7-(3''-Cyclopropylmethoxy-4''-difluoromethoxyphenyl)-2-(1-oxypyridin-3-yl)-pyrazolo[1,5-a]pyrimidine
CID 23624298
7-[3-(Cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 24774753
7-(3''-Cyclopropylmethoxy-4''-difluoromethoxyphenyl)-2-pyridin-3-yl-pyrazolo[1,5-a]pyrimidine
CID 24775191
3-[7-[3-(Cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]aniline
CID 24775752
7-[3-(Cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-phenylpyrazolo[1,5-a]pyrimidine
CID 24776131
1-cyclopentyl-3-(4-ethoxy-3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905296
3-(3,4-Dimethoxy-phenyl)-6-(3-pyridyl)imidazo [1,2-b]pyridazine
CID 90670245
6-Benzyl-3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine
CID 126672987

Frequently Asked Questions

What is the IUPAC name of 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine (CID 24775943) is 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine is COc1ccc(-c2ccnc3cc(-c4cc(Cl)ccc4Cl)nn23)cc1OC1CCCC1.
What is the InChIKey of 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is GGGNXORJESILCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O2/c1-30-22-9-6-15(12-23(22)31-17-4-2-3-5-17)21-10-11-27-24-14-20(28-29(21)24)18-13-16(25)7-8-19(18)26/h6-14,17H,2-5H2,1H3.
What are the key properties of 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine?
7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 454.36 g/mol, XLogP of 6.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(2,5-dichlorophenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 24775943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).