N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

C24H21FN6O — CID 55583201

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCn1c(CNC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)nc2ccccc21
InChIInChI=1S/C24H21FN6O/c1-2-30-21-12-6-4-10-19(21)28-22(30)16-26-23(32)17-15-27-31(20-11-5-3-9-18(20)25)24(17)29-13-7-8-14-29/h3-15H,2,16H2,1H3,(H,26,32)
InChIKeyJAXSWYYKORTBLS-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.10
Rot. Bonds6

About N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 55583201) has the molecular formula C24H21FN6O and a molecular weight of 428.47 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID55583201
Molecular FormulaC24H21FN6O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCn1c(CNC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)nc2ccccc21
InChIInChI=1S/C24H21FN6O/c1-2-30-21-12-6-4-10-19(21)28-22(30)16-26-23(32)17-15-27-31(20-11-5-3-9-18(20)25)24(17)29-13-7-8-14-29/h3-15H,2,16H2,1H3,(H,26,32)
InChIKeyJAXSWYYKORTBLS-UHFFFAOYSA-N
XLogP4.10
TPSA69.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 46585795
1-(2-fluorophenyl)-5-pyrrol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 39628848
methyl 4-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]butanoate
CID 39642778
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 55964680
N-(cyclobutylmethyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 33383595
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methoxybenzamide
CID 17007568
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 33093022
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 24532369
2-fluoro-N-[(1-hexadecylbenzimidazol-2-yl)methyl]benzamide
CID 17007744
1-(2-fluorophenyl)-N-(2-iodophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 43059370
1-(2-fluorophenyl)-N-pyridin-4-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39954053
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2H-indazol-3-yl)acetamide
CID 49373016

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 55583201) is N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is CCn1c(CNC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is JAXSWYYKORTBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O/c1-2-30-21-12-6-4-10-19(21)28-22(30)16-26-23(32)17-15-27-31(20-11-5-3-9-18(20)25)24(17)29-13-7-8-14-29/h3-15H,2,16H2,1H3,(H,26,32).
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55583201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).