(2R)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylbutanamide

C31H33FN4O2 — CID 92514790

IUPAC(2R)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylbutanamide
SMILESCC[C@@H](C(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)CC(C)C)c1ccccc1
InChIInChI=1S/C31H33FN4O2/c1-4-27(23-11-7-5-8-12-23)31(38)35(20-22(2)3)21-30(37)33-29-19-28(24-13-9-6-10-14-24)34-36(29)26-17-15-25(32)16-18-26/h5-19,22,27H,4,20-21H2,1-3H3,(H,33,37)/t27-/m1/s1
InChIKeyIEWFBKNPRCSXDY-HHHXNRCGSA-N
MW512.63 g/mol
LogP6.30
Rot. Bonds10

About (2R)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylbutanamide

(2R)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylbutanamide (PubChem CID 92514790) has the molecular formula C31H33FN4O2 and a molecular weight of 512.63 g/mol. Its IUPAC name is (2R)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylbutanamide
PubChem CID92514790
Molecular FormulaC31H33FN4O2
Molecular Weight512.63 g/mol
Exact Mass512.26
IUPAC Name(2R)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylbutanamide
SMILESCC[C@@H](C(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)CC(C)C)c1ccccc1
InChIInChI=1S/C31H33FN4O2/c1-4-27(23-11-7-5-8-12-23)31(38)35(20-22(2)3)21-30(37)33-29-19-28(24-13-9-6-10-14-24)34-36(29)26-17-15-25(32)16-18-26/h5-19,22,27H,4,20-21H2,1-3H3,(H,33,37)/t27-/m1/s1
InChIKeyIEWFBKNPRCSXDY-HHHXNRCGSA-N
XLogP6.30
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.63
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylbutanamide with MolForge

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Related Compounds

(2R)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide
CID 92514798
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-methyl-N-(3-methylbutyl)butanamide
CID 3972120
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-methyl-N-propylbutanamide
CID 4024168
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methyl-N-propylpropanamide
CID 1062343
ethyl 2-[[[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate
CID 42732608
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methylpropyl)benzamide
CID 1062358
N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
CID 42732023
2-[(2,6-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3992046
N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide
CID 3966020
trans-(1R,2R)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 1052040
N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 4587676
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-4-nitrobenzamide
CID 1062339

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylbutanamide?
The IUPAC name of (2R)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylbutanamide (CID 92514790) is (2R)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylbutanamide is CC[C@@H](C(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)CC(C)C)c1ccccc1.
What is the InChIKey of (2R)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylbutanamide?
The InChIKey is IEWFBKNPRCSXDY-HHHXNRCGSA-N. The full InChI is InChI=1S/C31H33FN4O2/c1-4-27(23-11-7-5-8-12-23)31(38)35(20-22(2)3)21-30(37)33-29-19-28(24-13-9-6-10-14-24)34-36(29)26-17-15-25(32)16-18-26/h5-19,22,27H,4,20-21H2,1-3H3,(H,33,37)/t27-/m1/s1.
What are the key properties of (2R)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylbutanamide?
(2R)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylbutanamide has a molecular weight of 512.63 g/mol, XLogP of 6.30, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylbutanamide is sourced from PubChem (CID 92514790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).