(2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]acetamide

C15H17Cl2N3O2 — CID 97250859

IUPAC(2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]acetamide
SMILESCn1cc(C(C)(C)NC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C15H17Cl2N3O2/c1-15(2,10-7-18-20(3)8-10)19-14(22)13(21)9-4-11(16)6-12(17)5-9/h4-8,13,21H,1-3H3,(H,19,22)/t13-/m1/s1
InChIKeyWVNKZZFFHIVGAQ-CYBMUJFWSA-N
MW342.23 g/mol
LogP2.81
Rot. Bonds4

About (2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]acetamide

(2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]acetamide (PubChem CID 97250859) has the molecular formula C15H17Cl2N3O2 and a molecular weight of 342.23 g/mol. Its IUPAC name is (2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]acetamide
PubChem CID97250859
Molecular FormulaC15H17Cl2N3O2
Molecular Weight342.23 g/mol
Exact Mass341.07
IUPAC Name(2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]acetamide
SMILESCn1cc(C(C)(C)NC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C15H17Cl2N3O2/c1-15(2,10-7-18-20(3)8-10)19-14(22)13(21)9-4-11(16)6-12(17)5-9/h4-8,13,21H,1-3H3,(H,19,22)/t13-/m1/s1
InChIKeyWVNKZZFFHIVGAQ-CYBMUJFWSA-N
XLogP2.81
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-Chloro-6-fluorophenyl)-1-hydroxypropan-2-YL]-3-(1-methylpyrazol-4-YL)propanamide
CID 71864153
N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 95775523
(2R)-2-(3-chlorophenyl)-2-hydroxy-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide
CID 100049935
(2R)-2-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxybutanamide
CID 100739038
2-(4-fluorophenyl)-2-hydroxy-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 91771633
N-[3-(4-chloro-1H-pyrazol-1-yl)propyl]-2-(4-fluorophenyl)-2-hydroxyacetamide
CID 91784531
N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-(4-fluorophenyl)-2-hydroxyacetamide
CID 91788679
2-(3-fluorophenyl)-2-hydroxy-N-[3-(4-methyl-1H-pyrazol-1-yl)propyl]acetamide
CID 91791417
(2S)-2-(4-fluorophenyl)-2-hydroxy-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide
CID 100043303
(2R)-2-(4-fluorophenyl)-2-hydroxy-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide
CID 100043305
(2S)-N-[3-(4-chloropyrazol-1-yl)propyl]-2-(4-fluorophenyl)-2-hydroxyacetamide
CID 100107127
(2R)-N-[3-(4-chloropyrazol-1-yl)propyl]-2-(4-fluorophenyl)-2-hydroxyacetamide
CID 100107135

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]acetamide?
The IUPAC name of (2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]acetamide (CID 97250859) is (2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]acetamide.
What is the SMILES notation for (2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]acetamide?
The canonical SMILES for (2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]acetamide is Cn1cc(C(C)(C)NC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)cn1.
What is the InChIKey of (2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]acetamide?
The InChIKey is WVNKZZFFHIVGAQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17Cl2N3O2/c1-15(2,10-7-18-20(3)8-10)19-14(22)13(21)9-4-11(16)6-12(17)5-9/h4-8,13,21H,1-3H3,(H,19,22)/t13-/m1/s1.
What are the key properties of (2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]acetamide?
(2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]acetamide has a molecular weight of 342.23 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]acetamide is sourced from PubChem (CID 97250859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).