5-(2-piperidin-3-ylethoxy)pyrazolo[1,5-a]pyrimidine

C13H18N4O — CID 113296853

IUPAC5-(2-piperidin-3-ylethoxy)pyrazolo[1,5-a]pyrimidine
SMILESc1cc2nc(OCCC3CCCNC3)ccn2n1
InChIInChI=1S/C13H18N4O/c1-2-11(10-14-6-1)5-9-18-13-4-8-17-12(16-13)3-7-15-17/h3-4,7-8,11,14H,1-2,5-6,9-10H2
InChIKeyBVKKZSQTFQWVCX-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.50
Rot. Bonds4

About 5-(2-piperidin-3-ylethoxy)pyrazolo[1,5-a]pyrimidine

5-(2-piperidin-3-ylethoxy)pyrazolo[1,5-a]pyrimidine (PubChem CID 113296853) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-(2-piperidin-3-ylethoxy)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(2-piperidin-3-ylethoxy)pyrazolo[1,5-a]pyrimidine
PubChem CID113296853
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-(2-piperidin-3-ylethoxy)pyrazolo[1,5-a]pyrimidine
SMILESc1cc2nc(OCCC3CCCNC3)ccn2n1
InChIInChI=1S/C13H18N4O/c1-2-11(10-14-6-1)5-9-18-13-4-8-17-12(16-13)3-7-15-17/h3-4,7-8,11,14H,1-2,5-6,9-10H2
InChIKeyBVKKZSQTFQWVCX-UHFFFAOYSA-N
XLogP1.50
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US11578061, Example 5
CID 165385809
US11578061, Example 3
CID 165385508
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-[(4-methylcyclohexyl)methoxy]pyrimidin-2-amine
CID 168388809
7-[(4,4-Difluorocyclohexyl)methoxy]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 167893802
5-(cyclopropylmethoxy)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 68031562
2-Hexoxypyrazolo[1,5-a]pyrimidine
CID 69331124
5-Hexoxypyrazolo[1,5-a]pyrimidine
CID 69331126
2-Butoxy-3-ethylpyrazolo[1,5-a]pyrimidin-5-amine
CID 89810640
3-(3-Bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-amine
CID 90448191
3-Bromo-5-piperidin-4-yloxypyrazolo[1,5-a]pyrimidine
CID 118975178
2-cyclohexyl-5-ethoxy-N-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 139819248
5-(Cyclopropylmethoxy)pyrazolo[1,5-a]pyrimidine
CID 141377480

Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-3-ylethoxy)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(2-piperidin-3-ylethoxy)pyrazolo[1,5-a]pyrimidine (CID 113296853) is 5-(2-piperidin-3-ylethoxy)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(2-piperidin-3-ylethoxy)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(2-piperidin-3-ylethoxy)pyrazolo[1,5-a]pyrimidine is c1cc2nc(OCCC3CCCNC3)ccn2n1.
What is the InChIKey of 5-(2-piperidin-3-ylethoxy)pyrazolo[1,5-a]pyrimidine?
The InChIKey is BVKKZSQTFQWVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-11(10-14-6-1)5-9-18-13-4-8-17-12(16-13)3-7-15-17/h3-4,7-8,11,14H,1-2,5-6,9-10H2.
What are the key properties of 5-(2-piperidin-3-ylethoxy)pyrazolo[1,5-a]pyrimidine?
5-(2-piperidin-3-ylethoxy)pyrazolo[1,5-a]pyrimidine has a molecular weight of 246.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-3-ylethoxy)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 113296853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).