N-[3-(N-ethylanilino)propyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide

C22H25FN4O — CID 39644068

IUPACN-[3-(N-ethylanilino)propyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCCN(CCCNC(=O)c1cnn(-c2ccc(F)cc2)c1C)c1ccccc1
InChIInChI=1S/C22H25FN4O/c1-3-26(19-8-5-4-6-9-19)15-7-14-24-22(28)21-16-25-27(17(21)2)20-12-10-18(23)11-13-20/h4-6,8-13,16H,3,7,14-15H2,1-2H3,(H,24,28)
InChIKeyMNWDPUOVDLUJQJ-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.97
Rot. Bonds8

About N-[3-(N-ethylanilino)propyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide

N-[3-(N-ethylanilino)propyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 39644068) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID39644068
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC NameN-[3-(N-ethylanilino)propyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCCN(CCCNC(=O)c1cnn(-c2ccc(F)cc2)c1C)c1ccccc1
InChIInChI=1S/C22H25FN4O/c1-3-26(19-8-5-4-6-9-19)15-7-14-24-22(28)21-16-25-27(17(21)2)20-12-10-18(23)11-13-20/h4-6,8-13,16H,3,7,14-15H2,1-2H3,(H,24,28)
InChIKeyMNWDPUOVDLUJQJ-UHFFFAOYSA-N
XLogP3.97
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(N-ethylanilino)propyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813848
5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 34317853
N-[2-(diethylamino)-2-phenylethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46578214
N-[3-(N-ethylanilino)propyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46427330
N-[4-(diethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 39694099
7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid
CID 75405746
N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 47438698
N-(3-butoxypropyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791814
N-[3-(N-ethylanilino)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 41278411
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119627135
5-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide
CID 38769023

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide (CID 39644068) is N-[3-(N-ethylanilino)propyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide is CCN(CCCNC(=O)c1cnn(-c2ccc(F)cc2)c1C)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is MNWDPUOVDLUJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-3-26(19-8-5-4-6-9-19)15-7-14-24-22(28)21-16-25-27(17(21)2)20-12-10-18(23)11-13-20/h4-6,8-13,16H,3,7,14-15H2,1-2H3,(H,24,28).
What are the key properties of N-[3-(N-ethylanilino)propyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
N-[3-(N-ethylanilino)propyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 39644068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).