(2R,3R)-4-(2-chlorophenyl)-3-[[1-[(2,3-difluoro-4-methoxyphenyl)methyl]pyrazole-3-carbonyl]amino]-2-hydroxybutanoic acid

C22H20ClF2N3O5 — CID 71073925

IUPAC(2R,3R)-4-(2-chlorophenyl)-3-[[1-[(2,3-difluoro-4-methoxyphenyl)methyl]pyrazole-3-carbonyl]amino]-2-hydroxybutanoic acid
SMILESCOc1ccc(Cn2ccc(C(=O)N[C@H](Cc3ccccc3Cl)[C@@H](O)C(=O)O)n2)c(F)c1F
InChIInChI=1S/C22H20ClF2N3O5/c1-33-17-7-6-13(18(24)19(17)25)11-28-9-8-15(27-28)21(30)26-16(20(29)22(31)32)10-12-4-2-3-5-14(12)23/h2-9,16,20,29H,10-11H2,1H3,(H,26,30)(H,31,32)/t16-,20-/m1/s1
InChIKeyDEYNHUIYVHWOPC-OXQOHEQNSA-N
MW479.87 g/mol
LogP2.66
Rot. Bonds9

About (2R,3R)-4-(2-chlorophenyl)-3-[[1-[(2,3-difluoro-4-methoxyphenyl)methyl]pyrazole-3-carbonyl]amino]-2-hydroxybutanoic acid

(2R,3R)-4-(2-chlorophenyl)-3-[[1-[(2,3-difluoro-4-methoxyphenyl)methyl]pyrazole-3-carbonyl]amino]-2-hydroxybutanoic acid (PubChem CID 71073925) has the molecular formula C22H20ClF2N3O5 and a molecular weight of 479.87 g/mol. Its IUPAC name is (2R,3R)-4-(2-chlorophenyl)-3-[[1-[(2,3-difluoro-4-methoxyphenyl)methyl]pyrazole-3-carbonyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R,3R)-4-(2-chlorophenyl)-3-[[1-[(2,3-difluoro-4-methoxyphenyl)methyl]pyrazole-3-carbonyl]amino]-2-hydroxybutanoic acid
PubChem CID71073925
Molecular FormulaC22H20ClF2N3O5
Molecular Weight479.87 g/mol
Exact Mass479.11
IUPAC Name(2R,3R)-4-(2-chlorophenyl)-3-[[1-[(2,3-difluoro-4-methoxyphenyl)methyl]pyrazole-3-carbonyl]amino]-2-hydroxybutanoic acid
SMILESCOc1ccc(Cn2ccc(C(=O)N[C@H](Cc3ccccc3Cl)[C@@H](O)C(=O)O)n2)c(F)c1F
InChIInChI=1S/C22H20ClF2N3O5/c1-33-17-7-6-13(18(24)19(17)25)11-28-9-8-15(27-28)21(30)26-16(20(29)22(31)32)10-12-4-2-3-5-14(12)23/h2-9,16,20,29H,10-11H2,1H3,(H,26,30)(H,31,32)/t16-,20-/m1/s1
InChIKeyDEYNHUIYVHWOPC-OXQOHEQNSA-N
XLogP2.66
TPSA113.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.87
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3R)-4-(2-chlorophenyl)-3-[[1-[(2,3-difluoro-4-methoxyphenyl)methyl]pyrazole-3-carbonyl]amino]-2-hydroxybutanoic acid 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

3-[[(2R,3R)-1-(2-chlorophenyl)-3-hydroxy-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-4-oxobutan-2-yl]carbamoyl]-1-[(2,3-difluoro-4-methoxyphenyl)methyl]pyrazole-5-carboxylic acid
CID 71074469
3-[[(1R,2R)-1-carboxy-3-(2-chlorophenyl)-1-hydroxypropan-2-yl]carbamoyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxylic acid
CID 71074043
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19285284
4-(2-chlorophenyl)-3-[[3-(2-chlorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxybutanoic acid
CID 71479321
4-(2-chlorophenyl)-2-hydroxy-3-[(2-phenyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
CID 71479323
2-[[3-[[(1R,2R)-1-carboxy-3-(2-chlorophenyl)-1-hydroxypropan-2-yl]carbamoyl]-5-chlorophenyl]methyl]pyrazole-3-carboxylic acid
CID 141351373
1-[(5-chloro-2-propan-2-yloxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide
CID 66725523
ethyl (2R,3R)-3-[(4-bromopyridine-2-carbonyl)amino]-4-(2-chlorophenyl)-2-hydroxybutanoate
CID 71074626
2-[2-[[3-(methylcarbamoyl)pyrazol-1-yl]methyl]phenyl]acetic acid
CID 115461220
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide
CID 19402880
2-[2-[[(2R,3R)-1-(2-chlorophenyl)-4-ethoxy-3-hydroxy-4-oxobutan-2-yl]carbamoyl]-4-pyridinyl]benzoic acid
CID 71075089
3-[(1-carboxy-1-hydroxy-3-phenylpropan-2-yl)carbamoyl]-1-[(4-chlorophenyl)methyl]pyrazole-5-carboxylic acid
CID 71074172

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-(2-chlorophenyl)-3-[[1-[(2,3-difluoro-4-methoxyphenyl)methyl]pyrazole-3-carbonyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of (2R,3R)-4-(2-chlorophenyl)-3-[[1-[(2,3-difluoro-4-methoxyphenyl)methyl]pyrazole-3-carbonyl]amino]-2-hydroxybutanoic acid (CID 71073925) is (2R,3R)-4-(2-chlorophenyl)-3-[[1-[(2,3-difluoro-4-methoxyphenyl)methyl]pyrazole-3-carbonyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2R,3R)-4-(2-chlorophenyl)-3-[[1-[(2,3-difluoro-4-methoxyphenyl)methyl]pyrazole-3-carbonyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for (2R,3R)-4-(2-chlorophenyl)-3-[[1-[(2,3-difluoro-4-methoxyphenyl)methyl]pyrazole-3-carbonyl]amino]-2-hydroxybutanoic acid is COc1ccc(Cn2ccc(C(=O)N[C@H](Cc3ccccc3Cl)[C@@H](O)C(=O)O)n2)c(F)c1F.
What is the InChIKey of (2R,3R)-4-(2-chlorophenyl)-3-[[1-[(2,3-difluoro-4-methoxyphenyl)methyl]pyrazole-3-carbonyl]amino]-2-hydroxybutanoic acid?
The InChIKey is DEYNHUIYVHWOPC-OXQOHEQNSA-N. The full InChI is InChI=1S/C22H20ClF2N3O5/c1-33-17-7-6-13(18(24)19(17)25)11-28-9-8-15(27-28)21(30)26-16(20(29)22(31)32)10-12-4-2-3-5-14(12)23/h2-9,16,20,29H,10-11H2,1H3,(H,26,30)(H,31,32)/t16-,20-/m1/s1.
What are the key properties of (2R,3R)-4-(2-chlorophenyl)-3-[[1-[(2,3-difluoro-4-methoxyphenyl)methyl]pyrazole-3-carbonyl]amino]-2-hydroxybutanoic acid?
(2R,3R)-4-(2-chlorophenyl)-3-[[1-[(2,3-difluoro-4-methoxyphenyl)methyl]pyrazole-3-carbonyl]amino]-2-hydroxybutanoic acid has a molecular weight of 479.87 g/mol, XLogP of 2.66, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-(2-chlorophenyl)-3-[[1-[(2,3-difluoro-4-methoxyphenyl)methyl]pyrazole-3-carbonyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 71073925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).