(4-hydroxypiperidin-1-yl)-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone

C19H20N4O2 — CID 143022801

IUPAC(4-hydroxypiperidin-1-yl)-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCc1cc(-c2ccccc2)nc2cc(C(=O)N3CCC(O)CC3)nn12
InChIInChI=1S/C19H20N4O2/c1-13-11-16(14-5-3-2-4-6-14)20-18-12-17(21-23(13)18)19(25)22-9-7-15(24)8-10-22/h2-6,11-12,15,24H,7-10H2,1H3
InChIKeyPJZXQLPQNVJBEO-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.30
Rot. Bonds2

About (4-hydroxypiperidin-1-yl)-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone

(4-hydroxypiperidin-1-yl)-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone (PubChem CID 143022801) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
PubChem CID143022801
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(4-hydroxypiperidin-1-yl)-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCc1cc(-c2ccccc2)nc2cc(C(=O)N3CCC(O)CC3)nn12
InChIInChI=1S/C19H20N4O2/c1-13-11-16(14-5-3-2-4-6-14)20-18-12-17(21-23(13)18)19(25)22-9-7-15(24)8-10-22/h2-6,11-12,15,24H,7-10H2,1H3
InChIKeyPJZXQLPQNVJBEO-UHFFFAOYSA-N
XLogP2.30
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone (CID 143022801) is (4-hydroxypiperidin-1-yl)-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone is Cc1cc(-c2ccccc2)nc2cc(C(=O)N3CCC(O)CC3)nn12.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The InChIKey is PJZXQLPQNVJBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-11-16(14-5-3-2-4-6-14)20-18-12-17(21-23(13)18)19(25)22-9-7-15(24)8-10-22/h2-6,11-12,15,24H,7-10H2,1H3.
What are the key properties of (4-hydroxypiperidin-1-yl)-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
(4-hydroxypiperidin-1-yl)-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone has a molecular weight of 336.40 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 143022801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).