1-(2-fluorophenyl)-5-pyrrol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide

C24H23FN4O4 — CID 39628848

IUPAC1-(2-fluorophenyl)-5-pyrrol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1
InChIInChI=1S/C24H23FN4O4/c1-31-20-13-22(33-3)21(32-2)12-16(20)14-26-23(30)17-15-27-29(19-9-5-4-8-18(19)25)24(17)28-10-6-7-11-28/h4-13,15H,14H2,1-3H3,(H,26,30)
InChIKeyZUUIJGUWCXIZMB-UHFFFAOYSA-N
MW450.47 g/mol
LogP3.76
Rot. Bonds8

About 1-(2-fluorophenyl)-5-pyrrol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide

1-(2-fluorophenyl)-5-pyrrol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 39628848) has the molecular formula C24H23FN4O4 and a molecular weight of 450.47 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-pyrrol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-pyrrol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
PubChem CID39628848
Molecular FormulaC24H23FN4O4
Molecular Weight450.47 g/mol
Exact Mass450.17
IUPAC Name1-(2-fluorophenyl)-5-pyrrol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1
InChIInChI=1S/C24H23FN4O4/c1-31-20-13-22(33-3)21(32-2)12-16(20)14-26-23(30)17-15-27-29(19-9-5-4-8-18(19)25)24(17)28-10-6-7-11-28/h4-13,15H,14H2,1-3H3,(H,26,30)
InChIKeyZUUIJGUWCXIZMB-UHFFFAOYSA-N
XLogP3.76
TPSA79.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 46585795
methyl 4-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]butanoate
CID 39642778
N-(cyclobutylmethyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 33383595
N-[2-(tert-butylamino)-2-oxoethyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39638732
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 55583201
methyl 3-[[1-(2,4-difluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]propanoate
CID 86207143
1-(2-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 37438178
1-(2-fluorophenyl)-N-(3-methoxypropyl)-N-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 47081624
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915321
N-(2,5-difluorophenyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 43059423
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 55964680
1-(2-fluorophenyl)-N-(2-iodophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 43059370

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-pyrrol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-5-pyrrol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide (CID 39628848) is 1-(2-fluorophenyl)-5-pyrrol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-5-pyrrol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-5-pyrrol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide is COc1cc(OC)c(OC)cc1CNC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1.
What is the InChIKey of 1-(2-fluorophenyl)-5-pyrrol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is ZUUIJGUWCXIZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O4/c1-31-20-13-22(33-3)21(32-2)12-16(20)14-26-23(30)17-15-27-29(19-9-5-4-8-18(19)25)24(17)28-10-6-7-11-28/h4-13,15H,14H2,1-3H3,(H,26,30).
What are the key properties of 1-(2-fluorophenyl)-5-pyrrol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide?
1-(2-fluorophenyl)-5-pyrrol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 450.47 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-pyrrol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 39628848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).