2-[1-(4-methylphenyl)-3-phenylmethoxycyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one

C24H25N3O2 — CID 142202763

IUPAC2-[1-(4-methylphenyl)-3-phenylmethoxycyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1ccc(C2(c3cc4n(n3)CCC(=O)N4)CC(OCc3ccccc3)C2)cc1
InChIInChI=1S/C24H25N3O2/c1-17-7-9-19(10-8-17)24(21-13-22-25-23(28)11-12-27(22)26-21)14-20(15-24)29-16-18-5-3-2-4-6-18/h2-10,13,20H,11-12,14-16H2,1H3,(H,25,28)
InChIKeyDZMXGMSUIWBWKS-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.20
Rot. Bonds5

About 2-[1-(4-methylphenyl)-3-phenylmethoxycyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one

2-[1-(4-methylphenyl)-3-phenylmethoxycyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 142202763) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)-3-phenylmethoxycyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)-3-phenylmethoxycyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID142202763
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name2-[1-(4-methylphenyl)-3-phenylmethoxycyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1ccc(C2(c3cc4n(n3)CCC(=O)N4)CC(OCc3ccccc3)C2)cc1
InChIInChI=1S/C24H25N3O2/c1-17-7-9-19(10-8-17)24(21-13-22-25-23(28)11-12-27(22)26-21)14-20(15-24)29-16-18-5-3-2-4-6-18/h2-10,13,20H,11-12,14-16H2,1H3,(H,25,28)
InChIKeyDZMXGMSUIWBWKS-UHFFFAOYSA-N
XLogP4.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(4-methylphenyl)-3-phenylmethoxycyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one with MolForge

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Related Compounds

1-methoxy-3-phenylmethoxycyclobutan-1-amine
CID 174783197
(4S)-4-phenylmethoxycycloheptan-1-one
CID 124560825
3-phenylmethoxycyclobutane-1,1-diol
CID 170382479
cis-(1R,4S)-1,2,2-trimethyl-4-phenylmethoxycyclopentane-1-carboxylic acid
CID 10706618
1-tert-butyl-N-methoxy-N-methyl-3-phenylmethoxycyclobutane-1-carboxamide
CID 146463485
1-phenyl-3-phenylmethoxycyclobutan-1-ol
CID 135138338
1-hydroxy-3-phenylmethoxycyclobutane-1-carboxylic acid
CID 149153047
1-methyl-6-phenylmethoxyazepan-3-one
CID 118230331
5-tert-butylsulfinyl-2-phenylmethoxy-5-azaspiro[3.4]octane
CID 171574960
2-[(4-phenylmethoxypiperidin-1-yl)methyl]isoindole-1,3-dione
CID 17416201
1-methyl-4-(3-phenylmethoxycyclobutyl)oxysulfanylbenzene
CID 163256159
1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-3-phenylmethoxycyclobutane-1-carbaldehyde
CID 142580119

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)-3-phenylmethoxycyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-[1-(4-methylphenyl)-3-phenylmethoxycyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 142202763) is 2-[1-(4-methylphenyl)-3-phenylmethoxycyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-[1-(4-methylphenyl)-3-phenylmethoxycyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-[1-(4-methylphenyl)-3-phenylmethoxycyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1ccc(C2(c3cc4n(n3)CCC(=O)N4)CC(OCc3ccccc3)C2)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)-3-phenylmethoxycyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is DZMXGMSUIWBWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-17-7-9-19(10-8-17)24(21-13-22-25-23(28)11-12-27(22)26-21)14-20(15-24)29-16-18-5-3-2-4-6-18/h2-10,13,20H,11-12,14-16H2,1H3,(H,25,28).
What are the key properties of 2-[1-(4-methylphenyl)-3-phenylmethoxycyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one?
2-[1-(4-methylphenyl)-3-phenylmethoxycyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 387.48 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)-3-phenylmethoxycyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 142202763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).