4-[4-[(1R)-1-(2-fluoro-4-propylphenyl)-1-hydroxyethyl]pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one

C19H21FN4O2 — CID 137026683

IUPAC4-[4-[(1R)-1-(2-fluoro-4-propylphenyl)-1-hydroxyethyl]pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCCCc1ccc([C@](C)(O)c2cnn(-c3cc(=O)[nH]c(C)n3)c2)c(F)c1
InChIInChI=1S/C19H21FN4O2/c1-4-5-13-6-7-15(16(20)8-13)19(3,26)14-10-21-24(11-14)17-9-18(25)23-12(2)22-17/h6-11,26H,4-5H2,1-3H3,(H,22,23,25)/t19-/m1/s1
InChIKeySKXHLFVZRJWEPO-LJQANCHMSA-N
MW356.40 g/mol
LogP2.61
Rot. Bonds5

About 4-[4-[(1R)-1-(2-fluoro-4-propylphenyl)-1-hydroxyethyl]pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one

4-[4-[(1R)-1-(2-fluoro-4-propylphenyl)-1-hydroxyethyl]pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 137026683) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 4-[4-[(1R)-1-(2-fluoro-4-propylphenyl)-1-hydroxyethyl]pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-[(1R)-1-(2-fluoro-4-propylphenyl)-1-hydroxyethyl]pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID137026683
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name4-[4-[(1R)-1-(2-fluoro-4-propylphenyl)-1-hydroxyethyl]pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCCCc1ccc([C@](C)(O)c2cnn(-c3cc(=O)[nH]c(C)n3)c2)c(F)c1
InChIInChI=1S/C19H21FN4O2/c1-4-5-13-6-7-15(16(20)8-13)19(3,26)14-10-21-24(11-14)17-9-18(25)23-12(2)22-17/h6-11,26H,4-5H2,1-3H3,(H,22,23,25)/t19-/m1/s1
InChIKeySKXHLFVZRJWEPO-LJQANCHMSA-N
XLogP2.61
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-[(1R)-1-(2-fluoro-4-propylphenyl)-1-hydroxyethyl]pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136247095
2-methyl-4-[4-[(2R)-2-[4-(trifluoromethyl)phenyl]oxolan-2-yl]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137026498
2-methyl-4-[4-[2-[4-(trifluoromethyl)phenyl]oxolan-2-yl]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137026499
4-[4-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 137026500
4-[4-[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-1-hydroxyethyl]pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 137026501
4-[4-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenyl]-1-hydroxyethyl]pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 137026507
4-[4-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-1-hydroxyethyl]pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 137026513
4-[4-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-1-hydroxyethyl]pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 137026515
2-methyl-4-[4-[1-methyl-5-(trifluoromethyl)-3H-2-benzofuran-1-yl]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137026517
4-[4-[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-hydroxyethyl]pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 137026521
2-methyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137026528
4-[4-[methoxy-[4-(trifluoromethyl)phenyl]methyl]pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 137026532

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1R)-1-(2-fluoro-4-propylphenyl)-1-hydroxyethyl]pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-[(1R)-1-(2-fluoro-4-propylphenyl)-1-hydroxyethyl]pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one (CID 137026683) is 4-[4-[(1R)-1-(2-fluoro-4-propylphenyl)-1-hydroxyethyl]pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-[(1R)-1-(2-fluoro-4-propylphenyl)-1-hydroxyethyl]pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-[(1R)-1-(2-fluoro-4-propylphenyl)-1-hydroxyethyl]pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one is CCCc1ccc([C@](C)(O)c2cnn(-c3cc(=O)[nH]c(C)n3)c2)c(F)c1.
What is the InChIKey of 4-[4-[(1R)-1-(2-fluoro-4-propylphenyl)-1-hydroxyethyl]pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is SKXHLFVZRJWEPO-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-4-5-13-6-7-15(16(20)8-13)19(3,26)14-10-21-24(11-14)17-9-18(25)23-12(2)22-17/h6-11,26H,4-5H2,1-3H3,(H,22,23,25)/t19-/m1/s1.
What are the key properties of 4-[4-[(1R)-1-(2-fluoro-4-propylphenyl)-1-hydroxyethyl]pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one?
4-[4-[(1R)-1-(2-fluoro-4-propylphenyl)-1-hydroxyethyl]pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 356.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1R)-1-(2-fluoro-4-propylphenyl)-1-hydroxyethyl]pyrazol-1-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137026683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).