4-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazole

C15H19FN2O — CID 67533938

IUPAC4-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazole
SMILESCOc1ccc(Cc2cnn(C(C)C)c2C)c(F)c1
InChIInChI=1S/C15H19FN2O/c1-10(2)18-11(3)13(9-17-18)7-12-5-6-14(19-4)8-15(12)16/h5-6,8-10H,7H2,1-4H3
InChIKeyUNOLHMDJKORXPH-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.51
Rot. Bonds4

About 4-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazole

4-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazole (PubChem CID 67533938) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazole
PubChem CID67533938
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name4-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazole
SMILESCOc1ccc(Cc2cnn(C(C)C)c2C)c(F)c1
InChIInChI=1S/C15H19FN2O/c1-10(2)18-11(3)13(9-17-18)7-12-5-6-14(19-4)8-15(12)16/h5-6,8-10H,7H2,1-4H3
InChIKeyUNOLHMDJKORXPH-UHFFFAOYSA-N
XLogP3.51
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-benzyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanol
CID 2496576
2-Isopropyl-3-(4-methoxy-phenyl)-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 11358099
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
1-[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189779
[1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-methoxybenzyl)piperidin-4-yl]methanol
CID 16188468
1-(1,5-dimethyl-3-pyrazolyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 16191714
3-[4-(4-Fluoro-phenoxy)-phenyl]-1-methyl-1H-pyrazole
CID 11242617
2-Isopropyl-3-(4-trifluoromethoxy-phenyl)-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 59752538
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
CID 880209
5-(4-Butoxy-phenyl)-1-methyl-1H-pyrazole
CID 11195591
3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-(pyrrolidin-1-ylmethyl)-1H-pyrazole
CID 16189228
1,2-dimethyl-4-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 16190324

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazole?
The IUPAC name of 4-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazole (CID 67533938) is 4-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazole?
The canonical SMILES for 4-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazole is COc1ccc(Cc2cnn(C(C)C)c2C)c(F)c1.
What is the InChIKey of 4-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazole?
The InChIKey is UNOLHMDJKORXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-10(2)18-11(3)13(9-17-18)7-12-5-6-14(19-4)8-15(12)16/h5-6,8-10H,7H2,1-4H3.
What are the key properties of 4-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazole?
4-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazole has a molecular weight of 262.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 67533938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).