1-[[4-[[2-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]-3H-pyrazol-1-yl]methyl]-2-methoxyphenyl]methyl]-4-methylpyrazole

C24H26ClFN4O2 — CID 118500172

IUPAC1-[[4-[[2-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]-3H-pyrazol-1-yl]methyl]-2-methoxyphenyl]methyl]-4-methylpyrazole
SMILESCOc1cc(CN2C=CCN2Cc2c(Cl)ccc(OC)c2F)ccc1Cn1cc(C)cn1
InChIInChI=1S/C24H26ClFN4O2/c1-17-12-27-28(13-17)15-19-6-5-18(11-23(19)32-3)14-29-9-4-10-30(29)16-20-21(25)7-8-22(31-2)24(20)26/h4-9,11-13H,10,14-16H2,1-3H3
InChIKeyFWZDUZARTCJXHU-UHFFFAOYSA-N
MW456.95 g/mol
LogP4.80
Rot. Bonds8

About 1-[[4-[[2-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]-3H-pyrazol-1-yl]methyl]-2-methoxyphenyl]methyl]-4-methylpyrazole

1-[[4-[[2-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]-3H-pyrazol-1-yl]methyl]-2-methoxyphenyl]methyl]-4-methylpyrazole (PubChem CID 118500172) has the molecular formula C24H26ClFN4O2 and a molecular weight of 456.95 g/mol. Its IUPAC name is 1-[[4-[[2-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]-3H-pyrazol-1-yl]methyl]-2-methoxyphenyl]methyl]-4-methylpyrazole.

Molecular Properties

Compound Name1-[[4-[[2-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]-3H-pyrazol-1-yl]methyl]-2-methoxyphenyl]methyl]-4-methylpyrazole
PubChem CID118500172
Molecular FormulaC24H26ClFN4O2
Molecular Weight456.95 g/mol
Exact Mass456.17
IUPAC Name1-[[4-[[2-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]-3H-pyrazol-1-yl]methyl]-2-methoxyphenyl]methyl]-4-methylpyrazole
SMILESCOc1cc(CN2C=CCN2Cc2c(Cl)ccc(OC)c2F)ccc1Cn1cc(C)cn1
InChIInChI=1S/C24H26ClFN4O2/c1-17-12-27-28(13-17)15-19-6-5-18(11-23(19)32-3)14-29-9-4-10-30(29)16-20-21(25)7-8-22(31-2)24(20)26/h4-9,11-13H,10,14-16H2,1-3H3
InChIKeyFWZDUZARTCJXHU-UHFFFAOYSA-N
XLogP4.80
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.95
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[[4-[[2-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]-3H-pyrazol-1-yl]methyl]-2-methoxyphenyl]methyl]-4-methylpyrazole with MolForge

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Related Compounds

N-[(6-cyclopropyl-2-fluoro-3-methoxyphenyl)methyl]-2-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 118482114
3-[3-fluoro-4-[(4-methylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 54970095
4-(chloromethyl)-2-[3-fluoro-4-[(4-methylpyrazol-1-yl)methyl]phenyl]-1,3-thiazole
CID 60872746
1-chloro-2-ethyl-3-fluoro-4-methoxybenzene
CID 118261733
1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-ol
CID 102622243
1-[(4-chloro-2-fluorophenyl)methyl]-4-(chloromethyl)pyrazole
CID 114859114
3-chloro-4-[(4-methylpyrazol-1-yl)methyl]benzonitrile
CID 102665656
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 104794788
N-[[4-fluoro-3-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 107456506
N-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide
CID 71679117
3-(3-fluoro-4-methoxyphenyl)-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 95352845
3-(3-fluoro-4-methoxyphenyl)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 95352844

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[2-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]-3H-pyrazol-1-yl]methyl]-2-methoxyphenyl]methyl]-4-methylpyrazole?
The IUPAC name of 1-[[4-[[2-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]-3H-pyrazol-1-yl]methyl]-2-methoxyphenyl]methyl]-4-methylpyrazole (CID 118500172) is 1-[[4-[[2-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]-3H-pyrazol-1-yl]methyl]-2-methoxyphenyl]methyl]-4-methylpyrazole.
What is the SMILES notation for 1-[[4-[[2-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]-3H-pyrazol-1-yl]methyl]-2-methoxyphenyl]methyl]-4-methylpyrazole?
The canonical SMILES for 1-[[4-[[2-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]-3H-pyrazol-1-yl]methyl]-2-methoxyphenyl]methyl]-4-methylpyrazole is COc1cc(CN2C=CCN2Cc2c(Cl)ccc(OC)c2F)ccc1Cn1cc(C)cn1.
What is the InChIKey of 1-[[4-[[2-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]-3H-pyrazol-1-yl]methyl]-2-methoxyphenyl]methyl]-4-methylpyrazole?
The InChIKey is FWZDUZARTCJXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4O2/c1-17-12-27-28(13-17)15-19-6-5-18(11-23(19)32-3)14-29-9-4-10-30(29)16-20-21(25)7-8-22(31-2)24(20)26/h4-9,11-13H,10,14-16H2,1-3H3.
What are the key properties of 1-[[4-[[2-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]-3H-pyrazol-1-yl]methyl]-2-methoxyphenyl]methyl]-4-methylpyrazole?
1-[[4-[[2-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]-3H-pyrazol-1-yl]methyl]-2-methoxyphenyl]methyl]-4-methylpyrazole has a molecular weight of 456.95 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[2-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]-3H-pyrazol-1-yl]methyl]-2-methoxyphenyl]methyl]-4-methylpyrazole is sourced from PubChem (CID 118500172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).