6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine

C17H17ClN4 — CID 118894240

IUPAC6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESClc1cc(-c2cnc3ccnn3c2)ccc1N1CCCCC1
InChIInChI=1S/C17H17ClN4/c18-15-10-13(4-5-16(15)21-8-2-1-3-9-21)14-11-19-17-6-7-20-22(17)12-14/h4-7,10-12H,1-3,8-9H2
InChIKeyHPKVPTYHUCWYCE-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.04
Rot. Bonds2

About 6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine

6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 118894240) has the molecular formula C17H17ClN4 and a molecular weight of 312.80 g/mol. Its IUPAC name is 6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID118894240
Molecular FormulaC17H17ClN4
Molecular Weight312.80 g/mol
Exact Mass312.11
IUPAC Name6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESClc1cc(-c2cnc3ccnn3c2)ccc1N1CCCCC1
InChIInChI=1S/C17H17ClN4/c18-15-10-13(4-5-16(15)21-8-2-1-3-9-21)14-11-19-17-6-7-20-22(17)12-14/h4-7,10-12H,1-3,8-9H2
InChIKeyHPKVPTYHUCWYCE-UHFFFAOYSA-N
XLogP4.04
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine (CID 118894240) is 6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine is Clc1cc(-c2cnc3ccnn3c2)ccc1N1CCCCC1.
What is the InChIKey of 6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is HPKVPTYHUCWYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4/c18-15-10-13(4-5-16(15)21-8-2-1-3-9-21)14-11-19-17-6-7-20-22(17)12-14/h4-7,10-12H,1-3,8-9H2.
What are the key properties of 6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine?
6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 312.80 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 118894240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).