5-[4-[4-(cyclopropylmethoxy)-3-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one

C22H25N3O2 — CID 134339051

IUPAC5-[4-[4-(cyclopropylmethoxy)-3-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2cc(-c3ccc(OCC4CC4)c(C)c3)cn2)ccc1=O
InChIInChI=1S/C22H25N3O2/c1-3-10-24-14-20(7-9-22(24)26)25-13-19(12-23-25)18-6-8-21(16(2)11-18)27-15-17-4-5-17/h6-9,11-14,17H,3-5,10,15H2,1-2H3
InChIKeyQDURDSRXOYMFTI-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.21
Rot. Bonds7

About 5-[4-[4-(cyclopropylmethoxy)-3-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one

5-[4-[4-(cyclopropylmethoxy)-3-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one (PubChem CID 134339051) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 5-[4-[4-(cyclopropylmethoxy)-3-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[4-[4-(cyclopropylmethoxy)-3-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one
PubChem CID134339051
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name5-[4-[4-(cyclopropylmethoxy)-3-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2cc(-c3ccc(OCC4CC4)c(C)c3)cn2)ccc1=O
InChIInChI=1S/C22H25N3O2/c1-3-10-24-14-20(7-9-22(24)26)25-13-19(12-23-25)18-6-8-21(16(2)11-18)27-15-17-4-5-17/h6-9,11-14,17H,3-5,10,15H2,1-2H3
InChIKeyQDURDSRXOYMFTI-UHFFFAOYSA-N
XLogP4.21
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 134339053
5-[4-[5-(cyclobutylmethyl)-3-methyl-2-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 159612758
5-[4-[2-chloro-4-[(1S)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(1R)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2S)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2R)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[3-fluoro-4-(2-methylpropoxy)phenyl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 161173675
5-[4-[2-[(1-methylcyclopropyl)methyl]pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-methyl-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-(2-methylpropyl)pyridin-2-one;5-[4-[4-methyl-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-methyl-6-(oxetan-3-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;1-(2-methylpropyl)-5-[4-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]pyrazol-1-yl]pyridin-2-one;5-[4-[2-(oxetan-3-ylmethyl)pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 158010339
5-[4-[4-[[1-(hydroxymethyl)cyclopropyl]methylsulfonyl]-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 134339033
5-[5-amino-2-(cyclopropylmethoxy)-4-methylphenyl]-1-methylpyridin-2-one
CID 90027888
5-[4-(2-chloro-4-piperidin-1-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one
CID 134339040
1-(cyclopropylmethoxy)-4-ethyl-2-methylbenzene
CID 155323138
ethane;4-[[4-(3-ethylsulfonylphenyl)-2-methylphenoxy]methyl]-1-methylpiperidine
CID 143656895
4-[[4-[1-(4-ethylsulfonylphenyl)pyrazol-4-yl]pyrimidin-5-yl]oxymethyl]cyclohexan-1-amine
CID 146502697
5-[2-(cyclopropylmethoxy)-5-ethylsulfinylphenyl]-1,3-dimethylpyridin-2-one;hydrate
CID 144832809
5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one
CID 118022228

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(cyclopropylmethoxy)-3-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The IUPAC name of 5-[4-[4-(cyclopropylmethoxy)-3-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one (CID 134339051) is 5-[4-[4-(cyclopropylmethoxy)-3-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[4-[4-(cyclopropylmethoxy)-3-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The canonical SMILES for 5-[4-[4-(cyclopropylmethoxy)-3-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one is CCCn1cc(-n2cc(-c3ccc(OCC4CC4)c(C)c3)cn2)ccc1=O.
What is the InChIKey of 5-[4-[4-(cyclopropylmethoxy)-3-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The InChIKey is QDURDSRXOYMFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-3-10-24-14-20(7-9-22(24)26)25-13-19(12-23-25)18-6-8-21(16(2)11-18)27-15-17-4-5-17/h6-9,11-14,17H,3-5,10,15H2,1-2H3.
What are the key properties of 5-[4-[4-(cyclopropylmethoxy)-3-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one?
5-[4-[4-(cyclopropylmethoxy)-3-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one has a molecular weight of 363.46 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(cyclopropylmethoxy)-3-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one is sourced from PubChem (CID 134339051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).