(3R)-1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carbonitrile

C16H21N5 — CID 95871825

IUPAC(3R)-1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carbonitrile
SMILESCCc1cc(N2CCC[C@@H](C#N)C2)n2nc(C)c(C)c2n1
InChIInChI=1S/C16H21N5/c1-4-14-8-15(20-7-5-6-13(9-17)10-20)21-16(18-14)11(2)12(3)19-21/h8,13H,4-7,10H2,1-3H3/t13-/m0/s1
InChIKeyXOJLVENGLJRNGT-ZDUSSCGKSA-N
MW283.38 g/mol
LogP2.65
Rot. Bonds2

About (3R)-1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carbonitrile

(3R)-1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carbonitrile (PubChem CID 95871825) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is (3R)-1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name(3R)-1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carbonitrile
PubChem CID95871825
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name(3R)-1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carbonitrile
SMILESCCc1cc(N2CCC[C@@H](C#N)C2)n2nc(C)c(C)c2n1
InChIInChI=1S/C16H21N5/c1-4-14-8-15(20-7-5-6-13(9-17)10-20)21-16(18-14)11(2)12(3)19-21/h8,13H,4-7,10H2,1-3H3/t13-/m0/s1
InChIKeyXOJLVENGLJRNGT-ZDUSSCGKSA-N
XLogP2.65
TPSA57.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carbonitrile?
The IUPAC name of (3R)-1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carbonitrile (CID 95871825) is (3R)-1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carbonitrile.
What is the SMILES notation for (3R)-1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carbonitrile?
The canonical SMILES for (3R)-1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carbonitrile is CCc1cc(N2CCC[C@@H](C#N)C2)n2nc(C)c(C)c2n1.
What is the InChIKey of (3R)-1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carbonitrile?
The InChIKey is XOJLVENGLJRNGT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N5/c1-4-14-8-15(20-7-5-6-13(9-17)10-20)21-16(18-14)11(2)12(3)19-21/h8,13H,4-7,10H2,1-3H3/t13-/m0/s1.
What are the key properties of (3R)-1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carbonitrile?
(3R)-1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carbonitrile has a molecular weight of 283.38 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carbonitrile is sourced from PubChem (CID 95871825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).