N-(5-chloro-2-methylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide

C18H15ClFN3O2 — CID 4862659

IUPACN-(5-chloro-2-methylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccn(COc2ccccc2F)n1
InChIInChI=1S/C18H15ClFN3O2/c1-12-6-7-13(19)10-16(12)21-18(24)15-8-9-23(22-15)11-25-17-5-3-2-4-14(17)20/h2-10H,11H2,1H3,(H,21,24)
InChIKeyOORIEEPNZXVBEJ-UHFFFAOYSA-N
MW359.79 g/mol
LogP4.27
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide

N-(5-chloro-2-methylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 4862659) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
PubChem CID4862659
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC NameN-(5-chloro-2-methylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccn(COc2ccccc2F)n1
InChIInChI=1S/C18H15ClFN3O2/c1-12-6-7-13(19)10-16(12)21-18(24)15-8-9-23(22-15)11-25-17-5-3-2-4-14(17)20/h2-10H,11H2,1H3,(H,21,24)
InChIKeyOORIEEPNZXVBEJ-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide (CID 4862659) is N-(5-chloro-2-methylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1ccn(COc2ccccc2F)n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is OORIEEPNZXVBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c1-12-6-7-13(19)10-16(12)21-18(24)15-8-9-23(22-15)11-25-17-5-3-2-4-14(17)20/h2-10H,11H2,1H3,(H,21,24).
What are the key properties of N-(5-chloro-2-methylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide?
N-(5-chloro-2-methylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 359.79 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 4862659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).