3-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one

C14H18N4O — CID 90717960

IUPAC3-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one
SMILESCN(C)c1cc(C2CCCC(=O)C2)nc2ccnn12
InChIInChI=1S/C14H18N4O/c1-17(2)14-9-12(10-4-3-5-11(19)8-10)16-13-6-7-15-18(13)14/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyBUPXBVYBOKYOGB-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.02
Rot. Bonds2

About 3-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one

3-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one (PubChem CID 90717960) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one
PubChem CID90717960
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one
SMILESCN(C)c1cc(C2CCCC(=O)C2)nc2ccnn12
InChIInChI=1S/C14H18N4O/c1-17(2)14-9-12(10-4-3-5-11(19)8-10)16-13-6-7-15-18(13)14/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyBUPXBVYBOKYOGB-UHFFFAOYSA-N
XLogP2.02
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Cyclohexyl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 110214032
1-(5-Methylpyrazolo[1,5-a]pyrimidin-7-yl)propan-2-one
CID 85843909
N-Octyl-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 12366061
1-[3-(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-4-carboxamide
CID 56814639
5-Isopropyl-7-{4-[1-(1-pyrrolidinyl)ethyl]-1-piperidinyl}pyrazolo[1,5-a]pyrimidine
CID 56891319
N~2~-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-L-isoleucinamide
CID 56894580
N-cyclopropyl-3-[1-(5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-piperidinyl]propanamide
CID 56909980
N-{[1-(5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-piperidinyl]methyl}acetamide
CID 56916291
N-ethyl-1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
CID 70730244
1-[4-[6-[(Dimethylamino)methyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone
CID 95815227
3-[(5-Propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutane-1-carboxamide
CID 172450827
4-Methyl-1-[7-(propan-2-YL)pyrazolo[1,5-A]pyrimidine-5-carbonyl]piperidine
CID 53040855

Frequently Asked Questions

What is the IUPAC name of 3-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one?
The IUPAC name of 3-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one (CID 90717960) is 3-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one.
What is the SMILES notation for 3-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one?
The canonical SMILES for 3-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one is CN(C)c1cc(C2CCCC(=O)C2)nc2ccnn12.
What is the InChIKey of 3-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one?
The InChIKey is BUPXBVYBOKYOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17(2)14-9-12(10-4-3-5-11(19)8-10)16-13-6-7-15-18(13)14/h6-7,9-10H,3-5,8H2,1-2H3.
What are the key properties of 3-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one?
3-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one has a molecular weight of 258.32 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(dimethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one is sourced from PubChem (CID 90717960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).