benzyl 3-(7-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate

C22H23ClN4O2 — CID 23539623

IUPACbenzyl 3-(7-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC(c2cc(Cl)n3ncc(C4CC4)c3n2)C1
InChIInChI=1S/C22H23ClN4O2/c23-20-11-19(25-21-18(16-8-9-16)12-24-27(20)21)17-7-4-10-26(13-17)22(28)29-14-15-5-2-1-3-6-15/h1-3,5-6,11-12,16-17H,4,7-10,13-14H2
InChIKeySWXDRVCURKQPNR-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.78
Rot. Bonds4

About benzyl 3-(7-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate

benzyl 3-(7-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate (PubChem CID 23539623) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is benzyl 3-(7-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(7-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
PubChem CID23539623
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Namebenzyl 3-(7-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC(c2cc(Cl)n3ncc(C4CC4)c3n2)C1
InChIInChI=1S/C22H23ClN4O2/c23-20-11-19(25-21-18(16-8-9-16)12-24-27(20)21)17-7-4-10-26(13-17)22(28)29-14-15-5-2-1-3-6-15/h1-3,5-6,11-12,16-17H,4,7-10,13-14H2
InChIKeySWXDRVCURKQPNR-UHFFFAOYSA-N
XLogP4.78
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-(7-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl 3-(7-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate (CID 23539623) is benzyl 3-(7-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-(7-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 3-(7-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCCC(c2cc(Cl)n3ncc(C4CC4)c3n2)C1.
What is the InChIKey of benzyl 3-(7-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate?
The InChIKey is SWXDRVCURKQPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c23-20-11-19(25-21-18(16-8-9-16)12-24-27(20)21)17-7-4-10-26(13-17)22(28)29-14-15-5-2-1-3-6-15/h1-3,5-6,11-12,16-17H,4,7-10,13-14H2.
What are the key properties of benzyl 3-(7-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate?
benzyl 3-(7-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate has a molecular weight of 410.91 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(7-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 23539623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).