3-(3,5-dimethoxyphenyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine

C19H23N5O2 — CID 24865113

IUPAC3-(3,5-dimethoxyphenyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1cc(OC)cc(-c2cnn3ccc(NC4CCNCC4)nc23)c1
InChIInChI=1S/C19H23N5O2/c1-25-15-9-13(10-16(11-15)26-2)17-12-21-24-8-5-18(23-19(17)24)22-14-3-6-20-7-4-14/h5,8-12,14,20H,3-4,6-7H2,1-2H3,(H,22,23)
InChIKeyCZPCTVODIOFPSA-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.58
Rot. Bonds5

About 3-(3,5-dimethoxyphenyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine

3-(3,5-dimethoxyphenyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 24865113) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID24865113
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name3-(3,5-dimethoxyphenyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1cc(OC)cc(-c2cnn3ccc(NC4CCNCC4)nc23)c1
InChIInChI=1S/C19H23N5O2/c1-25-15-9-13(10-16(11-15)26-2)17-12-21-24-8-5-18(23-19(17)24)22-14-3-6-20-7-4-14/h5,8-12,14,20H,3-4,6-7H2,1-2H3,(H,22,23)
InChIKeyCZPCTVODIOFPSA-UHFFFAOYSA-N
XLogP2.58
TPSA72.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine (CID 24865113) is 3-(3,5-dimethoxyphenyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine is COc1cc(OC)cc(-c2cnn3ccc(NC4CCNCC4)nc23)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is CZPCTVODIOFPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-25-15-9-13(10-16(11-15)26-2)17-12-21-24-8-5-18(23-19(17)24)22-14-3-6-20-7-4-14/h5,8-12,14,20H,3-4,6-7H2,1-2H3,(H,22,23).
What are the key properties of 3-(3,5-dimethoxyphenyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
3-(3,5-dimethoxyphenyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 353.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 24865113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).