(4-ethylpiperazin-1-yl)-[7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

C20H23N5O2 — CID 46050174

IUPAC(4-ethylpiperazin-1-yl)-[7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESCCN1CCN(C(=O)c2cnn3c(-c4cccc(OC)c4)ccnc23)CC1
InChIInChI=1S/C20H23N5O2/c1-3-23-9-11-24(12-10-23)20(26)17-14-22-25-18(7-8-21-19(17)25)15-5-4-6-16(13-15)27-2/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeyMYCYTLZGNNHZMM-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.18
Rot. Bonds4

About (4-ethylpiperazin-1-yl)-[7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

(4-ethylpiperazin-1-yl)-[7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (PubChem CID 46050174) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
PubChem CID46050174
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name(4-ethylpiperazin-1-yl)-[7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESCCN1CCN(C(=O)c2cnn3c(-c4cccc(OC)c4)ccnc23)CC1
InChIInChI=1S/C20H23N5O2/c1-3-23-9-11-24(12-10-23)20(26)17-14-22-25-18(7-8-21-19(17)25)15-5-4-6-16(13-15)27-2/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeyMYCYTLZGNNHZMM-UHFFFAOYSA-N
XLogP2.18
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 46074639
7-(3-methoxyphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050176
N-cyclohexyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050171
(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 55791893
(4-methylpiperidin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 24716873
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 46488983
(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 46974593
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 19327477
[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 19572343
7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 11149552
5-(methoxymethyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 131986699
[4-(2-fluorophenyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 46074581

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (CID 46050174) is (4-ethylpiperazin-1-yl)-[7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is CCN1CCN(C(=O)c2cnn3c(-c4cccc(OC)c4)ccnc23)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The InChIKey is MYCYTLZGNNHZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-3-23-9-11-24(12-10-23)20(26)17-14-22-25-18(7-8-21-19(17)25)15-5-4-6-16(13-15)27-2/h4-8,13-14H,3,9-12H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
(4-ethylpiperazin-1-yl)-[7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone has a molecular weight of 365.44 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is sourced from PubChem (CID 46050174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).