7-chloro-5-cyclobutyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine

C16H21ClN4 — CID 154969582

IUPAC7-chloro-5-cyclobutyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine
SMILESCN1CCCCC1c1cc2nc(C3CCC3)cc(Cl)n2n1
InChIInChI=1S/C16H21ClN4/c1-20-8-3-2-7-14(20)13-10-16-18-12(11-5-4-6-11)9-15(17)21(16)19-13/h9-11,14H,2-8H2,1H3
InChIKeyCARJDSPTJGPPFY-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.81
Rot. Bonds2

About 7-chloro-5-cyclobutyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine

7-chloro-5-cyclobutyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 154969582) has the molecular formula C16H21ClN4 and a molecular weight of 304.82 g/mol. Its IUPAC name is 7-chloro-5-cyclobutyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-cyclobutyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID154969582
Molecular FormulaC16H21ClN4
Molecular Weight304.82 g/mol
Exact Mass304.15
IUPAC Name7-chloro-5-cyclobutyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine
SMILESCN1CCCCC1c1cc2nc(C3CCC3)cc(Cl)n2n1
InChIInChI=1S/C16H21ClN4/c1-20-8-3-2-7-14(20)13-10-16-18-12(11-5-4-6-11)9-15(17)21(16)19-13/h9-11,14H,2-8H2,1H3
InChIKeyCARJDSPTJGPPFY-UHFFFAOYSA-N
XLogP3.81
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-cyclobutyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-cyclobutyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine (CID 154969582) is 7-chloro-5-cyclobutyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-cyclobutyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-cyclobutyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine is CN1CCCCC1c1cc2nc(C3CCC3)cc(Cl)n2n1.
What is the InChIKey of 7-chloro-5-cyclobutyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is CARJDSPTJGPPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-20-8-3-2-7-14(20)13-10-16-18-12(11-5-4-6-11)9-15(17)21(16)19-13/h9-11,14H,2-8H2,1H3.
What are the key properties of 7-chloro-5-cyclobutyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine?
7-chloro-5-cyclobutyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 304.82 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-cyclobutyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 154969582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).