N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide

C18H18FN3O2 — CID 71796907

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCc1cc(CNC(=O)c2cc(-c3ccc(F)cc3)nn2C)c(C)o1
InChIInChI=1S/C18H18FN3O2/c1-11-8-14(12(2)24-11)10-20-18(23)17-9-16(21-22(17)3)13-4-6-15(19)7-5-13/h4-9H,10H2,1-3H3,(H,20,23)
InChIKeyJBKVXBYXHDOVPJ-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.37
Rot. Bonds4

About N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide

N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 71796907) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
PubChem CID71796907
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCc1cc(CNC(=O)c2cc(-c3ccc(F)cc3)nn2C)c(C)o1
InChIInChI=1S/C18H18FN3O2/c1-11-8-14(12(2)24-11)10-20-18(23)17-9-16(21-22(17)3)13-4-6-15(19)7-5-13/h4-9H,10H2,1-3H3,(H,20,23)
InChIKeyJBKVXBYXHDOVPJ-UHFFFAOYSA-N
XLogP3.37
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (CID 71796907) is N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is Cc1cc(CNC(=O)c2cc(-c3ccc(F)cc3)nn2C)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is JBKVXBYXHDOVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-11-8-14(12(2)24-11)10-20-18(23)17-9-16(21-22(17)3)13-4-6-15(19)7-5-13/h4-9H,10H2,1-3H3,(H,20,23).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 71796907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).