2-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

C13H14N4 — CID 82271954

IUPAC2-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c(C2CCCCC2)nn2cccnc12
InChIInChI=1S/C13H14N4/c14-9-11-12(10-5-2-1-3-6-10)16-17-8-4-7-15-13(11)17/h4,7-8,10H,1-3,5-6H2
InChIKeyDFUAGZKKYURMBM-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.65
Rot. Bonds1

About 2-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

2-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 82271954) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID82271954
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name2-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c(C2CCCCC2)nn2cccnc12
InChIInChI=1S/C13H14N4/c14-9-11-12(10-5-2-1-3-6-10)16-17-8-4-7-15-13(11)17/h4,7-8,10H,1-3,5-6H2
InChIKeyDFUAGZKKYURMBM-UHFFFAOYSA-N
XLogP2.65
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-3-nitropyrazolo[1,5-a]pyrimidine
CID 141082095
benzene;3-ethynyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine
CID 87320807
(2-cyclobutylpyrazolo[1,5-a]pyrimidin-3-yl)methanethiol
CID 82272076
2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 69058450
2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 82271984
6-cyclobutyl-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 121215268
3-bromo-2-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidine
CID 84711827
5-chloro-3-cyclopentyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
CID 113390701
2-amino-6-cyclohexylbenzonitrile
CID 129240388
4-chloro-6-cyclopentylpyrimidine-5-carbonitrile
CID 82395505
5-chloro-3-cyclobutyl-1-methylpyrazole-4-carbonitrile
CID 82657508
pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 819275

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 2-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 82271954) is 2-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 2-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1c(C2CCCCC2)nn2cccnc12.
What is the InChIKey of 2-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is DFUAGZKKYURMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c14-9-11-12(10-5-2-1-3-6-10)16-17-8-4-7-15-13(11)17/h4,7-8,10H,1-3,5-6H2.
What are the key properties of 2-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
2-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 226.28 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 82271954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).