3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C14H21N5O — CID 137018378

IUPAC3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCN(C)Cc1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C14H21N5O/c1-18(2)9-11-8-16-19-12(7-13(20)17-14(11)19)10-3-5-15-6-4-10/h7-8,10,15H,3-6,9H2,1-2H3,(H,17,20)
InChIKeyUMSDQKQDBODLKD-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.55
Rot. Bonds3

About 3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018378) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018378
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCN(C)Cc1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C14H21N5O/c1-18(2)9-11-8-16-19-12(7-13(20)17-14(11)19)10-3-5-15-6-4-10/h7-8,10,15H,3-6,9H2,1-2H3,(H,17,20)
InChIKeyUMSDQKQDBODLKD-UHFFFAOYSA-N
XLogP0.55
TPSA65.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018378) is 3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is CN(C)Cc1cnn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of 3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is UMSDQKQDBODLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-18(2)9-11-8-16-19-12(7-13(20)17-14(11)19)10-3-5-15-6-4-10/h7-8,10,15H,3-6,9H2,1-2H3,(H,17,20).
What are the key properties of 3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 275.36 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).