N-[(2,3-dichlorophenyl)methyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide

C18H14Cl2FN3O — CID 55647998

IUPACN-[(2,3-dichlorophenyl)methyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C18H14Cl2FN3O/c1-23(11-12-5-4-6-13(19)17(12)20)18(25)15-9-10-24(22-15)16-8-3-2-7-14(16)21/h2-10H,11H2,1H3
InChIKeyAKKOJCDSIRHWDX-UHFFFAOYSA-N
MW378.23 g/mol
LogP4.59
Rot. Bonds4

About N-[(2,3-dichlorophenyl)methyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide

N-[(2,3-dichlorophenyl)methyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide (PubChem CID 55647998) has the molecular formula C18H14Cl2FN3O and a molecular weight of 378.23 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide
PubChem CID55647998
Molecular FormulaC18H14Cl2FN3O
Molecular Weight378.23 g/mol
Exact Mass377.05
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C18H14Cl2FN3O/c1-23(11-12-5-4-6-13(19)17(12)20)18(25)15-9-10-24(22-15)16-8-3-2-7-14(16)21/h2-10H,11H2,1H3
InChIKeyAKKOJCDSIRHWDX-UHFFFAOYSA-N
XLogP4.59
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide (CID 55647998) is N-[(2,3-dichlorophenyl)methyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide is CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccn(-c2ccccc2F)n1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide?
The InChIKey is AKKOJCDSIRHWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2FN3O/c1-23(11-12-5-4-6-13(19)17(12)20)18(25)15-9-10-24(22-15)16-8-3-2-7-14(16)21/h2-10H,11H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide?
N-[(2,3-dichlorophenyl)methyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 378.23 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 55647998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).