4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one

C18H25N3O — CID 142613046

IUPAC4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one
SMILESCc1cc(C)n2ncc(C(=O)CCCC3CCCCC3)c2n1
InChIInChI=1S/C18H25N3O/c1-13-11-14(2)21-18(20-13)16(12-19-21)17(22)10-6-9-15-7-4-3-5-8-15/h11-12,15H,3-10H2,1-2H3
InChIKeyVLRVYAMTPNKCIU-UHFFFAOYSA-N
MW299.42 g/mol
LogP4.28
Rot. Bonds5

About 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one

4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one (PubChem CID 142613046) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one.

Molecular Properties

Compound Name4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one
PubChem CID142613046
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one
SMILESCc1cc(C)n2ncc(C(=O)CCCC3CCCCC3)c2n1
InChIInChI=1S/C18H25N3O/c1-13-11-14(2)21-18(20-13)16(12-19-21)17(22)10-6-9-15-7-4-3-5-8-15/h11-12,15H,3-10H2,1-2H3
InChIKeyVLRVYAMTPNKCIU-UHFFFAOYSA-N
XLogP4.28
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,7-Dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 639252
1-(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethan-1-one
CID 83877102
1-(7-Methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 641891
1-(7-Methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 708078
1-(4,6-dimethylpyrimidin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-one
CID 1964183
1-[7-Methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 684290
1-(4,6-dimethylpyrimidin-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 4891357
N-(4-tert-butylcyclohexyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46907761
1-(5-Methylpyrazolo[1,5-a]pyrimidin-7-yl)propan-2-one
CID 85843909
1-(2,7-Dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 754766
N~3~-allyl-N~3~-methyl-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53015717
1-(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanone
CID 90672684

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one?
The IUPAC name of 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one (CID 142613046) is 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one.
What is the SMILES notation for 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one?
The canonical SMILES for 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one is Cc1cc(C)n2ncc(C(=O)CCCC3CCCCC3)c2n1.
What is the InChIKey of 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one?
The InChIKey is VLRVYAMTPNKCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13-11-14(2)21-18(20-13)16(12-19-21)17(22)10-6-9-15-7-4-3-5-8-15/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one?
4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one has a molecular weight of 299.42 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one is sourced from PubChem (CID 142613046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).