3-chloro-5-piperidin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C11H13ClN4O — CID 115054586

IUPAC3-chloro-5-piperidin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(C2CCNCC2)nc2c(Cl)c[nH]n12
InChIInChI=1S/C11H13ClN4O/c12-8-6-14-16-10(17)5-9(15-11(8)16)7-1-3-13-4-2-7/h5-7,13-14H,1-4H2
InChIKeySHZAMDSEHVSLQH-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.14
Rot. Bonds1

About 3-chloro-5-piperidin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-chloro-5-piperidin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 115054586) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is 3-chloro-5-piperidin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-chloro-5-piperidin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID115054586
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name3-chloro-5-piperidin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(C2CCNCC2)nc2c(Cl)c[nH]n12
InChIInChI=1S/C11H13ClN4O/c12-8-6-14-16-10(17)5-9(15-11(8)16)7-1-3-13-4-2-7/h5-7,13-14H,1-4H2
InChIKeySHZAMDSEHVSLQH-UHFFFAOYSA-N
XLogP1.14
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-4-yl)-3-chloro-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 45168309
5-piperidin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 105473879
5-cyclopentyl-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 113433939
5-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 83678981
5-(aminomethyl)-3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115021572
6-chloro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054621
5-piperidin-3-yl-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054548
3-tert-butyl-5-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054544
8-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054721
3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134128891
4-(7-oxo-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylic acid
CID 121319937
9-hydroxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115038189

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-piperidin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-chloro-5-piperidin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 115054586) is 3-chloro-5-piperidin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-chloro-5-piperidin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-chloro-5-piperidin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(C2CCNCC2)nc2c(Cl)c[nH]n12.
What is the InChIKey of 3-chloro-5-piperidin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SHZAMDSEHVSLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c12-8-6-14-16-10(17)5-9(15-11(8)16)7-1-3-13-4-2-7/h5-7,13-14H,1-4H2.
What are the key properties of 3-chloro-5-piperidin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-chloro-5-piperidin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 252.70 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-piperidin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 115054586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).