N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide

C14H15Cl2N3O2 — CID 97222976

IUPACN-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)n[nH]1
InChIInChI=1S/C14H15Cl2N3O2/c1-8-5-9(19-18-8)6-13(21)17-7-12(20)14-10(15)3-2-4-11(14)16/h2-5,12,20H,6-7H2,1H3,(H,17,21)(H,18,19)/t12-/m1/s1
InChIKeyXDIYIZVMLQQHAK-GFCCVEGCSA-N
MW328.20 g/mol
LogP2.42
Rot. Bonds5

About N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide

N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 97222976) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID97222976
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC NameN-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)n[nH]1
InChIInChI=1S/C14H15Cl2N3O2/c1-8-5-9(19-18-8)6-13(21)17-7-12(20)14-10(15)3-2-4-11(14)16/h2-5,12,20H,6-7H2,1H3,(H,17,21)(H,18,19)/t12-/m1/s1
InChIKeyXDIYIZVMLQQHAK-GFCCVEGCSA-N
XLogP2.42
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 97069382
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N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide;hydrochloride
CID 120652004
N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
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CID 75432261
2-(5-methyl-1H-pyrazol-3-yl)-N-(2-naphthalen-1-yl-2-oxoethyl)acetamide
CID 75435377
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-ethylbutanamide
CID 111912027
N'-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-N-propylbutanediamide
CID 71874340
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 167828485
N-(3-fluorophenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 110862703
N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide
CID 99787158
1-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 111454611

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 97222976) is N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide is Cc1cc(CC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)n[nH]1.
What is the InChIKey of N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is XDIYIZVMLQQHAK-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c1-8-5-9(19-18-8)6-13(21)17-7-12(20)14-10(15)3-2-4-11(14)16/h2-5,12,20H,6-7H2,1H3,(H,17,21)(H,18,19)/t12-/m1/s1.
What are the key properties of N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 328.20 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 97222976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).