1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide

C24H19ClFN3O2 — CID 66725336

IUPAC1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccn(Cc2cc(Cl)ccc2OCc2ccccc2)n1
InChIInChI=1S/C24H19ClFN3O2/c25-19-10-11-23(31-16-17-6-2-1-3-7-17)18(14-19)15-29-13-12-22(28-29)24(30)27-21-9-5-4-8-20(21)26/h1-14H,15-16H2,(H,27,30)
InChIKeySVWGNOXKFKYEMD-UHFFFAOYSA-N
MW435.89 g/mol
LogP5.56
Rot. Bonds7

About 1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide

1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 66725336) has the molecular formula C24H19ClFN3O2 and a molecular weight of 435.89 g/mol. Its IUPAC name is 1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
PubChem CID66725336
Molecular FormulaC24H19ClFN3O2
Molecular Weight435.89 g/mol
Exact Mass435.11
IUPAC Name1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccn(Cc2cc(Cl)ccc2OCc2ccccc2)n1
InChIInChI=1S/C24H19ClFN3O2/c25-19-10-11-23(31-16-17-6-2-1-3-7-17)18(14-19)15-29-13-12-22(28-29)24(30)27-21-9-5-4-8-20(21)26/h1-14H,15-16H2,(H,27,30)
InChIKeySVWGNOXKFKYEMD-UHFFFAOYSA-N
XLogP5.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.89
LogP ≤ 55.56
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-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide (CID 66725336) is 1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide is O=C(Nc1ccccc1F)c1ccn(Cc2cc(Cl)ccc2OCc2ccccc2)n1.
What is the InChIKey of 1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is SVWGNOXKFKYEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O2/c25-19-10-11-23(31-16-17-6-2-1-3-7-17)18(14-19)15-29-13-12-22(28-29)24(30)27-21-9-5-4-8-20(21)26/h1-14H,15-16H2,(H,27,30).
What are the key properties of 1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide?
1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 435.89 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 66725336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).