5-(cyclohexylmethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H23N3O — CID 166606577

IUPAC5-(cyclohexylmethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(CC3CCCCC3)nc2c1-c1ccccc1
InChIInChI=1S/C20H23N3O/c1-14-19(16-10-6-3-7-11-16)20-21-17(13-18(24)23(20)22-14)12-15-8-4-2-5-9-15/h3,6-7,10-11,13,15,22H,2,4-5,8-9,12H2,1H3
InChIKeyVALUKTQBIPRGLS-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.12
Rot. Bonds3

About 5-(cyclohexylmethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(cyclohexylmethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 166606577) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID166606577
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name5-(cyclohexylmethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(CC3CCCCC3)nc2c1-c1ccccc1
InChIInChI=1S/C20H23N3O/c1-14-19(16-10-6-3-7-11-16)20-21-17(13-18(24)23(20)22-14)12-15-8-4-2-5-9-15/h3,6-7,10-11,13,15,22H,2,4-5,8-9,12H2,1H3
InChIKeyVALUKTQBIPRGLS-UHFFFAOYSA-N
XLogP4.12
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(morpholin-4-ylmethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 166606545
5-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 4898037
5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 4893614
5-(3-fluorophenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 166606555
2-chloro-5-(chloromethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 66974644
2-methyl-3-phenyl-5-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973660
5-(3-methoxyphenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17079174
5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973506
2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 123610819
ethyl 2-(7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate
CID 2242396
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-(4-phenylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171133939
5-(phenoxymethyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171140798

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(cyclohexylmethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 166606577) is 5-(cyclohexylmethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(cyclohexylmethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(cyclohexylmethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1[nH]n2c(=O)cc(CC3CCCCC3)nc2c1-c1ccccc1.
What is the InChIKey of 5-(cyclohexylmethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VALUKTQBIPRGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14-19(16-10-6-3-7-11-16)20-21-17(13-18(24)23(20)22-14)12-15-8-4-2-5-9-15/h3,6-7,10-11,13,15,22H,2,4-5,8-9,12H2,1H3.
What are the key properties of 5-(cyclohexylmethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(cyclohexylmethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 321.42 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 166606577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).