3-chloro-7-(2-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one

C12H15ClN4O — CID 137018256

IUPAC3-chloro-7-(2-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC1CC(c2cc(=O)[nH]c3c(Cl)cnn23)CCN1
InChIInChI=1S/C12H15ClN4O/c1-7-4-8(2-3-14-7)10-5-11(18)16-12-9(13)6-15-17(10)12/h5-8,14H,2-4H2,1H3,(H,16,18)
InChIKeyGOQLTCPCGBVLFY-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.53
Rot. Bonds1

About 3-chloro-7-(2-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one

3-chloro-7-(2-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018256) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 3-chloro-7-(2-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-chloro-7-(2-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018256
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name3-chloro-7-(2-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC1CC(c2cc(=O)[nH]c3c(Cl)cnn23)CCN1
InChIInChI=1S/C12H15ClN4O/c1-7-4-8(2-3-14-7)10-5-11(18)16-12-9(13)6-15-17(10)12/h5-8,14H,2-4H2,1H3,(H,16,18)
InChIKeyGOQLTCPCGBVLFY-UHFFFAOYSA-N
XLogP1.53
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

US10118930, Example 51
CID 137018245
US10118930, Example 99
CID 137018285
US10118930, Example 287
CID 137018301
US10118930, Example 19
CID 137018318
US10118930, Example 324
CID 137018323
US10118930, Example 65
CID 137018334
US10118930, Example 93
CID 137018341
US10118930, Example 96
CID 137018343
US10118930, Example 342
CID 137018378
US10118930, Example 344
CID 137018448
US10118930, Example 21
CID 137018451
US10118930, Example 31
CID 137018522

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-(2-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-chloro-7-(2-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018256) is 3-chloro-7-(2-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-chloro-7-(2-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-chloro-7-(2-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is CC1CC(c2cc(=O)[nH]c3c(Cl)cnn23)CCN1.
What is the InChIKey of 3-chloro-7-(2-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is GOQLTCPCGBVLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-7-4-8(2-3-14-7)10-5-11(18)16-12-9(13)6-15-17(10)12/h5-8,14H,2-4H2,1H3,(H,16,18).
What are the key properties of 3-chloro-7-(2-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-chloro-7-(2-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 266.73 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-(2-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).