3-(1-methylpyrazol-4-yl)-N-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C21H23N7 — CID 24815996

IUPAC3-(1-methylpyrazol-4-yl)-N-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(Nc4ccccc4)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C21H23N7/c1-27-14-16(12-23-27)18-13-24-28-20(25-17-7-3-2-4-8-17)10-19(26-21(18)28)15-6-5-9-22-11-15/h2-4,7-8,10,12-15,22,25H,5-6,9,11H2,1H3
InChIKeyIMPQUAJLAYEKCN-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.34
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-N-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

3-(1-methylpyrazol-4-yl)-N-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 24815996) has the molecular formula C21H23N7 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID24815996
Molecular FormulaC21H23N7
Molecular Weight373.46 g/mol
Exact Mass373.20
IUPAC Name3-(1-methylpyrazol-4-yl)-N-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(Nc4ccccc4)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C21H23N7/c1-27-14-16(12-23-27)18-13-24-28-20(25-17-7-3-2-4-8-17)10-19(26-21(18)28)15-6-5-9-22-11-15/h2-4,7-8,10,12-15,22,25H,5-6,9,11H2,1H3
InChIKeyIMPQUAJLAYEKCN-UHFFFAOYSA-N
XLogP3.34
TPSA72.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 24815996) is 3-(1-methylpyrazol-4-yl)-N-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(Nc4ccccc4)cc(C4CCCNC4)nc23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IMPQUAJLAYEKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7/c1-27-14-16(12-23-27)18-13-24-28-20(25-17-7-3-2-4-8-17)10-19(26-21(18)28)15-6-5-9-22-11-15/h2-4,7-8,10,12-15,22,25H,5-6,9,11H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(1-methylpyrazol-4-yl)-N-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 373.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 24815996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).