N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide

C18H15ClFN3O2 — CID 25284348

IUPACN-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
SMILESCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C18H15ClFN3O2/c1-25-16-11-23(14-8-6-13(20)7-9-14)22-17(16)18(24)21-10-12-4-2-3-5-15(12)19/h2-9,11H,10H2,1H3,(H,21,24)
InChIKeyISRJKVIQIFUNCZ-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.60
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide

N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide (PubChem CID 25284348) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
PubChem CID25284348
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
SMILESCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C18H15ClFN3O2/c1-25-16-11-23(14-8-6-13(20)7-9-14)22-17(16)18(24)21-10-12-4-2-3-5-15(12)19/h2-9,11H,10H2,1H3,(H,21,24)
InChIKeyISRJKVIQIFUNCZ-UHFFFAOYSA-N
XLogP3.60
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide (CID 25284348) is N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide is COc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The InChIKey is ISRJKVIQIFUNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c1-25-16-11-23(14-8-6-13(20)7-9-14)22-17(16)18(24)21-10-12-4-2-3-5-15(12)19/h2-9,11H,10H2,1H3,(H,21,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide has a molecular weight of 359.79 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide is sourced from PubChem (CID 25284348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).