N-[(2,6-difluorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide

C18H14F3N3O2 — CID 42109692

IUPACN-[(2,6-difluorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
SMILESCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1c(F)cccc1F
InChIInChI=1S/C18H14F3N3O2/c1-26-16-10-24(12-7-5-11(19)6-8-12)23-17(16)18(25)22-9-13-14(20)3-2-4-15(13)21/h2-8,10H,9H2,1H3,(H,22,25)
InChIKeyYHWHCZBXZMMJHB-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.23
Rot. Bonds5

About N-[(2,6-difluorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide

N-[(2,6-difluorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide (PubChem CID 42109692) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
PubChem CID42109692
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC NameN-[(2,6-difluorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
SMILESCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1c(F)cccc1F
InChIInChI=1S/C18H14F3N3O2/c1-26-16-10-24(12-7-5-11(19)6-8-12)23-17(16)18(25)22-9-13-14(20)3-2-4-15(13)21/h2-8,10H,9H2,1H3,(H,22,25)
InChIKeyYHWHCZBXZMMJHB-UHFFFAOYSA-N
XLogP3.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide (CID 42109692) is N-[(2,6-difluorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide is COc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The InChIKey is YHWHCZBXZMMJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-26-16-10-24(12-7-5-11(19)6-8-12)23-17(16)18(25)22-9-13-14(20)3-2-4-15(13)21/h2-8,10H,9H2,1H3,(H,22,25).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
N-[(2,6-difluorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide has a molecular weight of 361.32 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide is sourced from PubChem (CID 42109692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).