5-chloro-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine

C11H13ClN4 — CID 134791923

IUPAC5-chloro-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESClc1cc(N2CCCCC2)n2nccc2n1
InChIInChI=1S/C11H13ClN4/c12-9-8-11(15-6-2-1-3-7-15)16-10(14-9)4-5-13-16/h4-5,8H,1-3,6-7H2
InChIKeyKRCYSCVOOUWHKM-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.37
Rot. Bonds1

About 5-chloro-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine

5-chloro-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 134791923) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 5-chloro-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
PubChem CID134791923
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name5-chloro-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESClc1cc(N2CCCCC2)n2nccc2n1
InChIInChI=1S/C11H13ClN4/c12-9-8-11(15-6-2-1-3-7-15)16-10(14-9)4-5-13-16/h4-5,8H,1-3,6-7H2
InChIKeyKRCYSCVOOUWHKM-UHFFFAOYSA-N
XLogP2.37
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-Dichloropyrazolo[1,5-a]pyrimidine
CID 11074154
2,4-Dimethylpyrazolo[1,5-a][1,3,5]triazine
CID 13000580
7-Chloropyrazolo[1,5-a]pyrimidine
CID 12281647
5-Chloropyrazolo(1,5-a)pyrimidine
CID 21071759
4-Ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine
CID 13000581
N,N-dimethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine
CID 176142001
5-Piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine
CID 176142005
5-Chloro-7-morpholin-4-yl-pyrazolo[1,5-a]pyrimidine
CID 58531071
4-Chloro-6-(1H-pyrazol-1-yl)pyrimidine
CID 10631239
7-Chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 21766612
3-Bromo-7-chloropyrazolo(1,5-a)pyrimidine
CID 21897627
5,7-Dichloro-3-iodopyrazolo[1,5-a]pyrimidine
CID 23539599

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine (CID 134791923) is 5-chloro-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine is Clc1cc(N2CCCCC2)n2nccc2n1.
What is the InChIKey of 5-chloro-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is KRCYSCVOOUWHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c12-9-8-11(15-6-2-1-3-7-15)16-10(14-9)4-5-13-16/h4-5,8H,1-3,6-7H2.
What are the key properties of 5-chloro-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
5-chloro-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 236.71 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 134791923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).