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

C21H22FN3O2 — CID 134339053

IUPAC5-[4-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2cc(-c3ccc(OCC4CC4)cc3F)cn2)ccc1=O
InChIInChI=1S/C21H22FN3O2/c1-2-9-24-13-17(5-8-21(24)26)25-12-16(11-23-25)19-7-6-18(10-20(19)22)27-14-15-3-4-15/h5-8,10-13,15H,2-4,9,14H2,1H3
InChIKeyZKGAVYSQTQRZTO-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.04
Rot. Bonds7

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

5-[4-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazol-1-yl]-1-propylpyridin-2-one (PubChem CID 134339053) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 5-[4-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazol-1-yl]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[4-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazol-1-yl]-1-propylpyridin-2-one
PubChem CID134339053
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name5-[4-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2cc(-c3ccc(OCC4CC4)cc3F)cn2)ccc1=O
InChIInChI=1S/C21H22FN3O2/c1-2-9-24-13-17(5-8-21(24)26)25-12-16(11-23-25)19-7-6-18(10-20(19)22)27-14-15-3-4-15/h5-8,10-13,15H,2-4,9,14H2,1H3
InChIKeyZKGAVYSQTQRZTO-UHFFFAOYSA-N
XLogP4.04
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[4-(cyclopropylmethoxy)-3-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 134339051
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-[5-(cyclobutylmethyl)-3-methyl-2-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 159612758
5-[4-(2-chloro-4-piperidin-1-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one
CID 134339040
5-[4-[4-[[1-(hydroxymethyl)cyclopropyl]methylsulfonyl]-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 134339033
2-fluoro-4-[(4-hexylcyclohexyl)methoxy]-1-(4-propylphenyl)benzene
CID 67791114
2-[4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanamine
CID 171115544
5-[3-[6-(2,2-dimethylpropyl)-4-fluoro-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 157196214
6-[4-(cyclopropylmethoxy)-2-fluorophenyl]-1-ethyl-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451951
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
4-[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]-2-fluorophenyl]-2-fluorobenzoic acid
CID 129119656
4-(cyclopropylmethoxy)-1-fluoro-2-propylbenzene;propane
CID 142580919

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The IUPAC name of 5-[4-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazol-1-yl]-1-propylpyridin-2-one (CID 134339053) is 5-[4-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazol-1-yl]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[4-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The canonical SMILES for 5-[4-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazol-1-yl]-1-propylpyridin-2-one is CCCn1cc(-n2cc(-c3ccc(OCC4CC4)cc3F)cn2)ccc1=O.
What is the InChIKey of 5-[4-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The InChIKey is ZKGAVYSQTQRZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-2-9-24-13-17(5-8-21(24)26)25-12-16(11-23-25)19-7-6-18(10-20(19)22)27-14-15-3-4-15/h5-8,10-13,15H,2-4,9,14H2,1H3.
What are the key properties of 5-[4-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazol-1-yl]-1-propylpyridin-2-one?
5-[4-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazol-1-yl]-1-propylpyridin-2-one has a molecular weight of 367.42 g/mol, XLogP of 4.04, 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)-2-fluorophenyl]pyrazol-1-yl]-1-propylpyridin-2-one is sourced from PubChem (CID 134339053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).