N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide

C12H11Cl2N3O2 — CID 122145027

IUPACN-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide
SMILESCC(O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C12H11Cl2N3O2/c1-7(18)12(19)16-9-5-15-17(6-9)11-3-2-8(13)4-10(11)14/h2-7,18H,1H3,(H,16,19)
InChIKeyKREYJFRZGUWPNT-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.50
Rot. Bonds3

About N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide

N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide (PubChem CID 122145027) has the molecular formula C12H11Cl2N3O2 and a molecular weight of 300.15 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide
PubChem CID122145027
Molecular FormulaC12H11Cl2N3O2
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC NameN-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide
SMILESCC(O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C12H11Cl2N3O2/c1-7(18)12(19)16-9-5-15-17(6-9)11-3-2-8(13)4-10(11)14/h2-7,18H,1H3,(H,16,19)
InChIKeyKREYJFRZGUWPNT-UHFFFAOYSA-N
XLogP2.50
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-N-[4-[(S)-methylsulfinyl]phenyl]pyrazole-4-carboxamide
CID 99817151
(2S)-2-amino-N-[1-(2-fluorophenyl)pyrazol-4-yl]-3-methylbutanamide
CID 119329634
N-[[1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]ethanamine
CID 61272499
N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
CID 119630624
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119608974
1-(2,4-dichlorophenyl)-N-[3-(ethylamino)propyl]pyrazole-4-carboxamide
CID 167952862
N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-fluoro-2-methylbenzamide
CID 86896466
2-[4-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696694
1-(2,4-dichlorophenyl)-N-pyridin-2-ylpyrazole-4-carboxamide
CID 68934305
4-(3-bromopropyl)-1-(2,4-dichlorophenyl)pyrazole
CID 62718915
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(2,4-dichlorophenyl)pyrazol-4-yl]methanone
CID 124690973
5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]pentanoic acid
CID 119234355

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide (CID 122145027) is N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide is CC(O)C(=O)Nc1cnn(-c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide?
The InChIKey is KREYJFRZGUWPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2/c1-7(18)12(19)16-9-5-15-17(6-9)11-3-2-8(13)4-10(11)14/h2-7,18H,1H3,(H,16,19).
What are the key properties of N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide?
N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide has a molecular weight of 300.15 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide is sourced from PubChem (CID 122145027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).