3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole

C15H15FN4O — CID 118864327

IUPAC3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole
SMILESCOc1cc(F)ccc1-c1cnn(Cc2ccn(C)n2)c1
InChIInChI=1S/C15H15FN4O/c1-19-6-5-13(18-19)10-20-9-11(8-17-20)14-4-3-12(16)7-15(14)21-2/h3-9H,10H2,1-2H3
InChIKeyMSGIBHWJHGBUEJ-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.48
Rot. Bonds4

About 3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole

3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole (PubChem CID 118864327) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole.

Molecular Properties

Compound Name3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole
PubChem CID118864327
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole
SMILESCOc1cc(F)ccc1-c1cnn(Cc2ccn(C)n2)c1
InChIInChI=1S/C15H15FN4O/c1-19-6-5-13(18-19)10-20-9-11(8-17-20)14-4-3-12(16)7-15(14)21-2/h3-9H,10H2,1-2H3
InChIKeyMSGIBHWJHGBUEJ-UHFFFAOYSA-N
XLogP2.48
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole 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-(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
3-(4-methoxyphenyl)-2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 21992651
3-[[4-[4-Chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methyl]-1-methylpyrazole
CID 118864285
4-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole
CID 118864337
3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-(pyrrolidin-1-ylmethyl)-1H-pyrazole
CID 16189228
1-[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-{[1-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}methanamine
CID 16189988
2-{[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}isoxazolidine
CID 16191137
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-{[1-(2-fluorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}ethanamine
CID 16192336
2-[4-(4-Methoxy-phenyl)-1-methyl-1H-pyrazol-3-yl]-6-methyl-pyridine
CID 44351275
4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)-1-(2-fluorophenyl)-5-methyl-1H-pyrazole
CID 49862237
4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-3-methoxybenzonitrile
CID 145961916

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole?
The IUPAC name of 3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole (CID 118864327) is 3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole.
What is the SMILES notation for 3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole?
The canonical SMILES for 3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole is COc1cc(F)ccc1-c1cnn(Cc2ccn(C)n2)c1.
What is the InChIKey of 3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole?
The InChIKey is MSGIBHWJHGBUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-19-6-5-13(18-19)10-20-9-11(8-17-20)14-4-3-12(16)7-15(14)21-2/h3-9H,10H2,1-2H3.
What are the key properties of 3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole?
3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole has a molecular weight of 286.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methyl]-1-methylpyrazole is sourced from PubChem (CID 118864327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).