2-[cyclohexylcarbamoyl(ethyl)amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide

C26H30FN5O2 — CID 4680620

IUPAC2-[cyclohexylcarbamoyl(ethyl)amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
SMILESCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C26H30FN5O2/c1-2-31(26(34)28-21-11-7-4-8-12-21)18-25(33)29-24-17-23(19-9-5-3-6-10-19)30-32(24)22-15-13-20(27)14-16-22/h3,5-6,9-10,13-17,21H,2,4,7-8,11-12,18H2,1H3,(H,28,34)(H,29,33)
InChIKeySFJGJNHHJNHFHH-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.98
Rot. Bonds7

About 2-[cyclohexylcarbamoyl(ethyl)amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide

2-[cyclohexylcarbamoyl(ethyl)amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide (PubChem CID 4680620) has the molecular formula C26H30FN5O2 and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-[cyclohexylcarbamoyl(ethyl)amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[cyclohexylcarbamoyl(ethyl)amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
PubChem CID4680620
Molecular FormulaC26H30FN5O2
Molecular Weight463.56 g/mol
Exact Mass463.24
IUPAC Name2-[cyclohexylcarbamoyl(ethyl)amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
SMILESCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C26H30FN5O2/c1-2-31(26(34)28-21-11-7-4-8-12-21)18-25(33)29-24-17-23(19-9-5-3-6-10-19)30-32(24)22-15-13-20(27)14-16-22/h3,5-6,9-10,13-17,21H,2,4,7-8,11-12,18H2,1H3,(H,28,34)(H,29,33)
InChIKeySFJGJNHHJNHFHH-UHFFFAOYSA-N
XLogP4.98
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[cyclohexylcarbamoyl(ethyl)amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl-[(2-ethylphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3491737
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-pentylcyclopentanecarboxamide
CID 3476265
2-[(2-bromophenyl)carbamoyl-ethylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 1060987
2-[ethyl-[(3-ethylphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 1060992
N-ethyl-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide
CID 42742042
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methyl-N-propylpropanamide
CID 1062343
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide
CID 42732051
2-[(2-ethoxyphenyl)carbamoyl-propylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3686030
2-fluoro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide
CID 1052048
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-pentylhexanamide
CID 3524886
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-methyl-N-propylbutanamide
CID 4024168
2-[(2,3-dimethylphenyl)carbamoyl-propylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 5040656

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylcarbamoyl(ethyl)amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide?
The IUPAC name of 2-[cyclohexylcarbamoyl(ethyl)amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide (CID 4680620) is 2-[cyclohexylcarbamoyl(ethyl)amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-[cyclohexylcarbamoyl(ethyl)amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-[cyclohexylcarbamoyl(ethyl)amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide is CCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(=O)NC1CCCCC1.
What is the InChIKey of 2-[cyclohexylcarbamoyl(ethyl)amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide?
The InChIKey is SFJGJNHHJNHFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2/c1-2-31(26(34)28-21-11-7-4-8-12-21)18-25(33)29-24-17-23(19-9-5-3-6-10-19)30-32(24)22-15-13-20(27)14-16-22/h3,5-6,9-10,13-17,21H,2,4,7-8,11-12,18H2,1H3,(H,28,34)(H,29,33).
What are the key properties of 2-[cyclohexylcarbamoyl(ethyl)amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide?
2-[cyclohexylcarbamoyl(ethyl)amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide has a molecular weight of 463.56 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylcarbamoyl(ethyl)amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide is sourced from PubChem (CID 4680620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).