6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine

C19H22N4O — CID 44577719

IUPAC6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESc1cc2ncc(-c3ccc(OCCN4CCCCC4)cc3)cn2n1
InChIInChI=1S/C19H22N4O/c1-2-10-22(11-3-1)12-13-24-18-6-4-16(5-7-18)17-14-20-19-8-9-21-23(19)15-17/h4-9,14-15H,1-3,10-13H2
InChIKeyYHXVPMWPSFHODY-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.26
Rot. Bonds5

About 6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine

6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 44577719) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
PubChem CID44577719
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESc1cc2ncc(-c3ccc(OCCN4CCCCC4)cc3)cn2n1
InChIInChI=1S/C19H22N4O/c1-2-10-22(11-3-1)12-13-24-18-6-4-16(5-7-18)17-14-20-19-8-9-21-23(19)15-17/h4-9,14-15H,1-3,10-13H2
InChIKeyYHXVPMWPSFHODY-UHFFFAOYSA-N
XLogP3.26
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Dorsomorphin
CID 11524144
Bms-561388
CID 9908904
4-[2-[4-(3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329447
4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
ML347
CID 44577753
1-(2-{4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}ethyl)piperidine
CID 5329450
4-[2-[4-(3-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329453
Methyl substituted pyrazole, 27
CID 23648674
6-Chloro-10,11,14,17-tetrahydro-13H-1,16-etheno-4,8-metheno-1H-pyrazolo[3,4-g][1,14,4,6]dioxadiazacyclohexadecine
CID 135567262
3-(6-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine
CID 5329452
6-(4-Methoxy-phenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
CID 5329337
4-(2-{4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}ethyl)morpholine
CID 5329446

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine (CID 44577719) is 6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine is c1cc2ncc(-c3ccc(OCCN4CCCCC4)cc3)cn2n1.
What is the InChIKey of 6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is YHXVPMWPSFHODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-2-10-22(11-3-1)12-13-24-18-6-4-16(5-7-18)17-14-20-19-8-9-21-23(19)15-17/h4-9,14-15H,1-3,10-13H2.
What are the key properties of 6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 322.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 44577719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).