benzyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate

C19H19ClN4O2 — CID 21035755

IUPACbenzyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(c2cc(Cl)n3nccc3n2)CC1
InChIInChI=1S/C19H19ClN4O2/c20-17-12-16(22-18-6-9-21-24(17)18)15-7-10-23(11-8-15)19(25)26-13-14-4-2-1-3-5-14/h1-6,9,12,15H,7-8,10-11,13H2
InChIKeyXXLMKFDVJLMQMD-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.90
Rot. Bonds3

About benzyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate

benzyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate (PubChem CID 21035755) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is benzyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
PubChem CID21035755
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Namebenzyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(c2cc(Cl)n3nccc3n2)CC1
InChIInChI=1S/C19H19ClN4O2/c20-17-12-16(22-18-6-9-21-24(17)18)15-7-10-23(11-8-15)19(25)26-13-14-4-2-1-3-5-14/h1-6,9,12,15H,7-8,10-11,13H2
InChIKeyXXLMKFDVJLMQMD-UHFFFAOYSA-N
XLogP3.90
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate (CID 21035755) is benzyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(c2cc(Cl)n3nccc3n2)CC1.
What is the InChIKey of benzyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate?
The InChIKey is XXLMKFDVJLMQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c20-17-12-16(22-18-6-9-21-24(17)18)15-7-10-23(11-8-15)19(25)26-13-14-4-2-1-3-5-14/h1-6,9,12,15H,7-8,10-11,13H2.
What are the key properties of benzyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate?
benzyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate has a molecular weight of 370.84 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 21035755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).