1-[(5-chloro-2-methoxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide

C18H14ClF2N3O2 — CID 66725260

IUPAC1-[(5-chloro-2-methoxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(Cl)cc1Cn1ccc(C(=O)Nc2c(F)cccc2F)n1
InChIInChI=1S/C18H14ClF2N3O2/c1-26-16-6-5-12(19)9-11(16)10-24-8-7-15(23-24)18(25)22-17-13(20)3-2-4-14(17)21/h2-9H,10H2,1H3,(H,22,25)
InChIKeyXUYBOMMZFGHAIW-UHFFFAOYSA-N
MW377.78 g/mol
LogP4.12
Rot. Bonds5

About 1-[(5-chloro-2-methoxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide

1-[(5-chloro-2-methoxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide (PubChem CID 66725260) has the molecular formula C18H14ClF2N3O2 and a molecular weight of 377.78 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide
PubChem CID66725260
Molecular FormulaC18H14ClF2N3O2
Molecular Weight377.78 g/mol
Exact Mass377.07
IUPAC Name1-[(5-chloro-2-methoxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(Cl)cc1Cn1ccc(C(=O)Nc2c(F)cccc2F)n1
InChIInChI=1S/C18H14ClF2N3O2/c1-26-16-6-5-12(19)9-11(16)10-24-8-7-15(23-24)18(25)22-17-13(20)3-2-4-14(17)21/h2-9H,10H2,1H3,(H,22,25)
InChIKeyXUYBOMMZFGHAIW-UHFFFAOYSA-N
XLogP4.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide (CID 66725260) is 1-[(5-chloro-2-methoxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(5-chloro-2-methoxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(5-chloro-2-methoxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide is COc1ccc(Cl)cc1Cn1ccc(C(=O)Nc2c(F)cccc2F)n1.
What is the InChIKey of 1-[(5-chloro-2-methoxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide?
The InChIKey is XUYBOMMZFGHAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O2/c1-26-16-6-5-12(19)9-11(16)10-24-8-7-15(23-24)18(25)22-17-13(20)3-2-4-14(17)21/h2-9H,10H2,1H3,(H,22,25).
What are the key properties of 1-[(5-chloro-2-methoxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide?
1-[(5-chloro-2-methoxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide has a molecular weight of 377.78 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methoxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 66725260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).