[1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-5-yl]methanol

C18H17FN2O2 — CID 57069952

IUPAC[1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-5-yl]methanol
SMILESCOc1ccc(-c2cnn(Cc3ccccc3)c2CO)cc1F
InChIInChI=1S/C18H17FN2O2/c1-23-18-8-7-14(9-16(18)19)15-10-20-21(17(15)12-22)11-13-5-3-2-4-6-13/h2-10,22H,11-12H2,1H3
InChIKeyPPVRPNOXIPMOPU-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.24
Rot. Bonds5

About [1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-5-yl]methanol

[1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-5-yl]methanol (PubChem CID 57069952) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is [1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-5-yl]methanol
PubChem CID57069952
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name[1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-5-yl]methanol
SMILESCOc1ccc(-c2cnn(Cc3ccccc3)c2CO)cc1F
InChIInChI=1S/C18H17FN2O2/c1-23-18-8-7-14(9-16(18)19)15-10-20-21(17(15)12-22)11-13-5-3-2-4-6-13/h2-10,22H,11-12H2,1H3
InChIKeyPPVRPNOXIPMOPU-UHFFFAOYSA-N
XLogP3.24
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 882911
[1-benzyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanol
CID 2496576
(1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl]-2-(4-methoxyphenyl)ethan-1-ol
CID 10002931
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](4-fluoro-3-methoxyphenyl)methanol
CID 10478173
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](3,4-difluoro-5-methoxyphenyl)methanol
CID 11305564
3-fluoro-4-[(2S)-1-[3-(2-methylpyrazol-3-yl)phenoxy]propan-2-yl]oxybenzonitrile
CID 138471321
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
(1S)-1-[(4aR,5S)-1-(4-methoxyphenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]ethanol
CID 164621667
2-(3-{2-[(4-fluorobenzyl)oxy]phenyl}-1H-pyrazol-1-yl)-1-ethanol
CID 1485523
[1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-methoxybenzyl)piperidin-4-yl]methanol
CID 16188468
[4-(4-Methoxyphenyl)-1-phenylpyrazol-3-yl]methanol
CID 2512462
3-[4-(4-Fluoro-phenoxy)-phenyl]-1-methyl-1H-pyrazole
CID 11242617

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-5-yl]methanol?
The IUPAC name of [1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-5-yl]methanol (CID 57069952) is [1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-5-yl]methanol.
What is the SMILES notation for [1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-5-yl]methanol?
The canonical SMILES for [1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-5-yl]methanol is COc1ccc(-c2cnn(Cc3ccccc3)c2CO)cc1F.
What is the InChIKey of [1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-5-yl]methanol?
The InChIKey is PPVRPNOXIPMOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-23-18-8-7-14(9-16(18)19)15-10-20-21(17(15)12-22)11-13-5-3-2-4-6-13/h2-10,22H,11-12H2,1H3.
What are the key properties of [1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-5-yl]methanol?
[1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-5-yl]methanol has a molecular weight of 312.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-4-(3-fluoro-4-methoxyphenyl)pyrazol-5-yl]methanol is sourced from PubChem (CID 57069952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).