N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide

C19H18FN3O2 — CID 154693169

IUPACN-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(Cc2cc(C(=O)Nc3ccc(F)cc3)n(C)n2)cc1
InChIInChI=1S/C19H18FN3O2/c1-23-18(19(24)21-15-7-5-14(20)6-8-15)12-16(22-23)11-13-3-9-17(25-2)10-4-13/h3-10,12H,11H2,1-2H3,(H,21,24)
InChIKeyRQTFIBIGESMXAW-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.41
Rot. Bonds5

About N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide

N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide (PubChem CID 154693169) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide
PubChem CID154693169
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(Cc2cc(C(=O)Nc3ccc(F)cc3)n(C)n2)cc1
InChIInChI=1S/C19H18FN3O2/c1-23-18(19(24)21-15-7-5-14(20)6-8-15)12-16(22-23)11-13-3-9-17(25-2)10-4-13/h3-10,12H,11H2,1-2H3,(H,21,24)
InChIKeyRQTFIBIGESMXAW-UHFFFAOYSA-N
XLogP3.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(4-fluorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate
CID 5303442
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CID 66940874
5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110674172
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N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
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CID 17019726
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CID 1014494
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048012
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CID 136834452
6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109348330
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CID 109055517

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide (CID 154693169) is N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide is COc1ccc(Cc2cc(C(=O)Nc3ccc(F)cc3)n(C)n2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is RQTFIBIGESMXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-23-18(19(24)21-15-7-5-14(20)6-8-15)12-16(22-23)11-13-3-9-17(25-2)10-4-13/h3-10,12H,11H2,1-2H3,(H,21,24).
What are the key properties of N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide?
N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 154693169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).