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

C24H22ClN3O2 — CID 24776042

IUPAC2-(3-chlorophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3cc(-c4cccc(Cl)c4)nn23)cc1OC1CCCC1
InChIInChI=1S/C24H22ClN3O2/c1-29-22-10-9-17(14-23(22)30-19-7-2-3-8-19)21-11-12-26-24-15-20(27-28(21)24)16-5-4-6-18(25)13-16/h4-6,9-15,19H,2-3,7-8H2,1H3
InChIKeyHCMNDTLLSQCKRQ-UHFFFAOYSA-N
MW419.91 g/mol
LogP6.05
Rot. Bonds5

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

2-(3-chlorophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 24776042) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID24776042
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC Name2-(3-chlorophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3cc(-c4cccc(Cl)c4)nn23)cc1OC1CCCC1
InChIInChI=1S/C24H22ClN3O2/c1-29-22-10-9-17(14-23(22)30-19-7-2-3-8-19)21-11-12-26-24-15-20(27-28(21)24)16-5-4-6-18(25)13-16/h4-6,9-15,19H,2-3,7-8H2,1H3
InChIKeyHCMNDTLLSQCKRQ-UHFFFAOYSA-N
XLogP6.05
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.91
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
CID 134179384
6-Chloro-3-(3,4-Dimethoxyphenyl)-2-Methylimidazo[1,2-B]pyridazin-8-Amine
CID 91757958
Tubulin inhibitor 24
CID 155804415
3-Fluoropropyl 4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl ether
CID 3692931
5-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 3701632
2-(1,3-Benzodioxol-5-yl)-6-propoxyimidazo[1,2-b]pyridazine
CID 10542018
5-(3,4-Dimethoxyphenyl)-2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1241324
3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1851747
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3842722
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(3-chlorophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 24776042) is 2-(3-chlorophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(3-chlorophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(3-chlorophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine is COc1ccc(-c2ccnc3cc(-c4cccc(Cl)c4)nn23)cc1OC1CCCC1.
What is the InChIKey of 2-(3-chlorophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is HCMNDTLLSQCKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c1-29-22-10-9-17(14-23(22)30-19-7-2-3-8-19)21-11-12-26-24-15-20(27-28(21)24)16-5-4-6-18(25)13-16/h4-6,9-15,19H,2-3,7-8H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
2-(3-chlorophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 419.91 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 24776042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).