N-[4-(diethylamino)-2-methylphenyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide

C22H25FN4O2 — CID 25284377

IUPACN-[4-(diethylamino)-2-methylphenyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2OC)c(C)c1
InChIInChI=1S/C22H25FN4O2/c1-5-26(6-2)18-11-12-19(15(3)13-18)24-22(28)21-20(29-4)14-27(25-21)17-9-7-16(23)8-10-17/h7-14H,5-6H2,1-4H3,(H,24,28)
InChIKeyKBIPBAFALKJHIZ-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.43
Rot. Bonds7

About N-[4-(diethylamino)-2-methylphenyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide

N-[4-(diethylamino)-2-methylphenyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide (PubChem CID 25284377) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
PubChem CID25284377
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2OC)c(C)c1
InChIInChI=1S/C22H25FN4O2/c1-5-26(6-2)18-11-12-19(15(3)13-18)24-22(28)21-20(29-4)14-27(25-21)17-9-7-16(23)8-10-17/h7-14H,5-6H2,1-4H3,(H,24,28)
InChIKeyKBIPBAFALKJHIZ-UHFFFAOYSA-N
XLogP4.43
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N,1-diphenylpyrazole-3-carboxamide
CID 7992430
4-methoxy-N-(2-methoxy-5-methylphenyl)-1-phenylpyrazole-3-carboxamide
CID 7992588
2,3-Dihydroindol-1-yl-(4-methoxy-1-phenylpyrazol-3-yl)methanone
CID 16618646
4-methoxy-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 7581178
N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992482
N-(2-chloro-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992538
4-methoxy-N-(4-methylphenyl)-1-phenylpyrazole-3-carboxamide
CID 9534923
1-(4-fluorophenyl)-4-methoxy-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide
CID 25284363
(4-ethoxy-1-(4-fluorophenyl)-1H-pyrazol-3-yl)(2-methylindolin-1-yl)methanone
CID 44062379
4-ethoxy-1-(4-fluorophenyl)-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide
CID 45283985
N-(4-fluoro-2-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 8378271
4-methoxy-N-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide
CID 18106024

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide (CID 25284377) is N-[4-(diethylamino)-2-methylphenyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2OC)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The InChIKey is KBIPBAFALKJHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-5-26(6-2)18-11-12-19(15(3)13-18)24-22(28)21-20(29-4)14-27(25-21)17-9-7-16(23)8-10-17/h7-14H,5-6H2,1-4H3,(H,24,28).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
N-[4-(diethylamino)-2-methylphenyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide is sourced from PubChem (CID 25284377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).