[2-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone

C21H23ClN4O — CID 42752729

IUPAC[2-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCCc1c(C(=O)N2CCC(C)CC2)cnc2cc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C21H23ClN4O/c1-3-19-17(21(27)25-10-8-14(2)9-11-25)13-23-20-12-18(24-26(19)20)15-4-6-16(22)7-5-15/h4-7,12-14H,3,8-11H2,1-2H3
InChIKeyMQBOEQDCOCMCBL-UHFFFAOYSA-N
MW382.90 g/mol
LogP4.48
Rot. Bonds3

About [2-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone

[2-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 42752729) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID42752729
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC Name[2-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCCc1c(C(=O)N2CCC(C)CC2)cnc2cc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C21H23ClN4O/c1-3-19-17(21(27)25-10-8-14(2)9-11-25)13-23-20-12-18(24-26(19)20)15-4-6-16(22)7-5-15/h4-7,12-14H,3,8-11H2,1-2H3
InChIKeyMQBOEQDCOCMCBL-UHFFFAOYSA-N
XLogP4.48
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-6-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 42752730
[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
CID 4001881
(4-benzhydrylpiperazin-1-yl)-[2-(4-chlorophenyl)-7-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 5010610
6-(4-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one
CID 30935730
(4-benzylpiperidin-1-yl)-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 3947805
(4-chloro-6-methyl-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 81225286
(2-bromo-4-chlorophenyl)-(4-methylazepan-1-yl)methanone
CID 107988267
(5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 18108514
1-[4-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]ethanone
CID 3983688
[4-[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 3805941
(2-amino-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16772124
[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 7213876

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone (CID 42752729) is [2-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone is CCc1c(C(=O)N2CCC(C)CC2)cnc2cc(-c3ccc(Cl)cc3)nn12.
What is the InChIKey of [2-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is MQBOEQDCOCMCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c1-3-19-17(21(27)25-10-8-14(2)9-11-25)13-23-20-12-18(24-26(19)20)15-4-6-16(22)7-5-15/h4-7,12-14H,3,8-11H2,1-2H3.
What are the key properties of [2-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone?
[2-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 382.90 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-7-ethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 42752729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).