N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide

C18H15ClFN3O3 — CID 25284376

IUPACN-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1nn(-c2ccc(F)cc2)cc1OC
InChIInChI=1S/C18H15ClFN3O3/c1-25-15-8-3-11(19)9-14(15)21-18(24)17-16(26-2)10-23(22-17)13-6-4-12(20)5-7-13/h3-10H,1-2H3,(H,21,24)
InChIKeyQBTXYEVWYZAUGZ-UHFFFAOYSA-N
MW375.79 g/mol
LogP3.93
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide

N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide (PubChem CID 25284376) has the molecular formula C18H15ClFN3O3 and a molecular weight of 375.79 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
PubChem CID25284376
Molecular FormulaC18H15ClFN3O3
Molecular Weight375.79 g/mol
Exact Mass375.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1nn(-c2ccc(F)cc2)cc1OC
InChIInChI=1S/C18H15ClFN3O3/c1-25-15-8-3-11(19)9-14(15)21-18(24)17-16(26-2)10-23(22-17)13-6-4-12(20)5-7-13/h3-10H,1-2H3,(H,21,24)
InChIKeyQBTXYEVWYZAUGZ-UHFFFAOYSA-N
XLogP3.93
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide (CID 25284376) is N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide is COc1ccc(Cl)cc1NC(=O)c1nn(-c2ccc(F)cc2)cc1OC.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The InChIKey is QBTXYEVWYZAUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3/c1-25-15-8-3-11(19)9-14(15)21-18(24)17-16(26-2)10-23(22-17)13-6-4-12(20)5-7-13/h3-10H,1-2H3,(H,21,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide has a molecular weight of 375.79 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide is sourced from PubChem (CID 25284376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).