N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-2-fluoro-N-(2-methoxyethyl)benzamide

C27H25FN4O3 — CID 4302543

IUPACN-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-2-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)c1ccccc1F
InChIInChI=1S/C27H25FN4O3/c1-35-17-16-31(27(34)22-14-8-9-15-23(22)28)19-26(33)29-25-18-24(20-10-4-2-5-11-20)30-32(25)21-12-6-3-7-13-21/h2-15,18H,16-17,19H2,1H3,(H,29,33)
InChIKeyUQZDCJXJFAKZCK-UHFFFAOYSA-N
MW472.52 g/mol
LogP4.41
Rot. Bonds9

About N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-2-fluoro-N-(2-methoxyethyl)benzamide

N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-2-fluoro-N-(2-methoxyethyl)benzamide (PubChem CID 4302543) has the molecular formula C27H25FN4O3 and a molecular weight of 472.52 g/mol. Its IUPAC name is N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-2-fluoro-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-2-fluoro-N-(2-methoxyethyl)benzamide
PubChem CID4302543
Molecular FormulaC27H25FN4O3
Molecular Weight472.52 g/mol
Exact Mass472.19
IUPAC NameN-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-2-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)c1ccccc1F
InChIInChI=1S/C27H25FN4O3/c1-35-17-16-31(27(34)22-14-8-9-15-23(22)28)19-26(33)29-25-18-24(20-10-4-2-5-11-20)30-32(25)21-12-6-3-7-13-21/h2-15,18H,16-17,19H2,1H3,(H,29,33)
InChIKeyUQZDCJXJFAKZCK-UHFFFAOYSA-N
XLogP4.41
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11245456
N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
4-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11574130
N-[(4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide
CID 155937487
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-2-methylbenzamide
CID 1508258
n-(1,3-Diphenyl-1h-pyrazol-5-yl)-4-fluorobenzamide
CID 11164167
Difenamizole
CID 65695
3-methyl-N-[(4S,5S)-3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 137084692
3-fluoro-N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 1510447
4-methyl-N-[4-(morpholine-4-carbonyl)-2-phenylpyrazol-3-yl]benzamide
CID 1372063
N-(2,5-Diphenyl-2H-pyrazol-3-yl)-3-fluoro-benzamide
CID 11451163
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-methylbenzamide
CID 11462332

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-2-fluoro-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-2-fluoro-N-(2-methoxyethyl)benzamide (CID 4302543) is N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-2-fluoro-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-2-fluoro-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-2-fluoro-N-(2-methoxyethyl)benzamide is COCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)c1ccccc1F.
What is the InChIKey of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-2-fluoro-N-(2-methoxyethyl)benzamide?
The InChIKey is UQZDCJXJFAKZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O3/c1-35-17-16-31(27(34)22-14-8-9-15-23(22)28)19-26(33)29-25-18-24(20-10-4-2-5-11-20)30-32(25)21-12-6-3-7-13-21/h2-15,18H,16-17,19H2,1H3,(H,29,33).
What are the key properties of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-2-fluoro-N-(2-methoxyethyl)benzamide?
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-2-fluoro-N-(2-methoxyethyl)benzamide has a molecular weight of 472.52 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-2-fluoro-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 4302543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).