methyl N-[[5-[3-(2,3-dihydro-1-benzofuran-5-yl)pyrazol-1-yl]-2-fluorophenyl]methyl]carbamate

C20H18FN3O3 — CID 67151138

IUPACmethyl N-[[5-[3-(2,3-dihydro-1-benzofuran-5-yl)pyrazol-1-yl]-2-fluorophenyl]methyl]carbamate
SMILESCOC(=O)NCc1cc(-n2ccc(-c3ccc4c(c3)CCO4)n2)ccc1F
InChIInChI=1S/C20H18FN3O3/c1-26-20(25)22-12-15-11-16(3-4-17(15)21)24-8-6-18(23-24)13-2-5-19-14(10-13)7-9-27-19/h2-6,8,10-11H,7,9,12H2,1H3,(H,22,25)
InChIKeyOXCFUYSNJYKWBL-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.47
Rot. Bonds4

About methyl N-[[5-[3-(2,3-dihydro-1-benzofuran-5-yl)pyrazol-1-yl]-2-fluorophenyl]methyl]carbamate

methyl N-[[5-[3-(2,3-dihydro-1-benzofuran-5-yl)pyrazol-1-yl]-2-fluorophenyl]methyl]carbamate (PubChem CID 67151138) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is methyl N-[[5-[3-(2,3-dihydro-1-benzofuran-5-yl)pyrazol-1-yl]-2-fluorophenyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[5-[3-(2,3-dihydro-1-benzofuran-5-yl)pyrazol-1-yl]-2-fluorophenyl]methyl]carbamate
PubChem CID67151138
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Namemethyl N-[[5-[3-(2,3-dihydro-1-benzofuran-5-yl)pyrazol-1-yl]-2-fluorophenyl]methyl]carbamate
SMILESCOC(=O)NCc1cc(-n2ccc(-c3ccc4c(c3)CCO4)n2)ccc1F
InChIInChI=1S/C20H18FN3O3/c1-26-20(25)22-12-15-11-16(3-4-17(15)21)24-8-6-18(23-24)13-2-5-19-14(10-13)7-9-27-19/h2-6,8,10-11H,7,9,12H2,1H3,(H,22,25)
InChIKeyOXCFUYSNJYKWBL-UHFFFAOYSA-N
XLogP3.47
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl N-[[5-[3-(2,3-dihydro-1-benzofuran-5-yl)pyrazol-1-yl]-2-fluorophenyl]methyl]carbamate with MolForge

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Related Compounds

1-[[2-chloro-5-[3-(3,4-dihydro-2H-chromen-6-yl)pyrazol-1-yl]phenyl]methyl]-3-methylurea
CID 67151198
1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine
CID 61032684
methyl 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylate
CID 116966357
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)benzoate
CID 4131960
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 9127510
3-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-ethylamino]propanoic acid
CID 120516834
2-[[2-[5-(2,3-dihydro-1-benzofuran-5-yl)indol-1-yl]acetyl]amino]acetic acid
CID 159876035
1-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-fluorophenyl]-N-methylmethanamine
CID 54910696
N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115762404
[5-[3-(2,6-dimethyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methylcarbamic acid
CID 118339243
methyl 3-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propanoate
CID 100677303
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]acetamide
CID 47073790

Frequently Asked Questions

What is the IUPAC name of methyl N-[[5-[3-(2,3-dihydro-1-benzofuran-5-yl)pyrazol-1-yl]-2-fluorophenyl]methyl]carbamate?
The IUPAC name of methyl N-[[5-[3-(2,3-dihydro-1-benzofuran-5-yl)pyrazol-1-yl]-2-fluorophenyl]methyl]carbamate (CID 67151138) is methyl N-[[5-[3-(2,3-dihydro-1-benzofuran-5-yl)pyrazol-1-yl]-2-fluorophenyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[5-[3-(2,3-dihydro-1-benzofuran-5-yl)pyrazol-1-yl]-2-fluorophenyl]methyl]carbamate?
The canonical SMILES for methyl N-[[5-[3-(2,3-dihydro-1-benzofuran-5-yl)pyrazol-1-yl]-2-fluorophenyl]methyl]carbamate is COC(=O)NCc1cc(-n2ccc(-c3ccc4c(c3)CCO4)n2)ccc1F.
What is the InChIKey of methyl N-[[5-[3-(2,3-dihydro-1-benzofuran-5-yl)pyrazol-1-yl]-2-fluorophenyl]methyl]carbamate?
The InChIKey is OXCFUYSNJYKWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-26-20(25)22-12-15-11-16(3-4-17(15)21)24-8-6-18(23-24)13-2-5-19-14(10-13)7-9-27-19/h2-6,8,10-11H,7,9,12H2,1H3,(H,22,25).
What are the key properties of methyl N-[[5-[3-(2,3-dihydro-1-benzofuran-5-yl)pyrazol-1-yl]-2-fluorophenyl]methyl]carbamate?
methyl N-[[5-[3-(2,3-dihydro-1-benzofuran-5-yl)pyrazol-1-yl]-2-fluorophenyl]methyl]carbamate has a molecular weight of 367.38 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[5-[3-(2,3-dihydro-1-benzofuran-5-yl)pyrazol-1-yl]-2-fluorophenyl]methyl]carbamate is sourced from PubChem (CID 67151138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).