3-(2-chloro-4-fluorophenyl)-2-(1H-pyrazol-4-yl)propanamide

C12H11ClFN3O — CID 90980328

IUPAC3-(2-chloro-4-fluorophenyl)-2-(1H-pyrazol-4-yl)propanamide
SMILESNC(=O)C(Cc1ccc(F)cc1Cl)c1cn[nH]c1
InChIInChI=1S/C12H11ClFN3O/c13-11-4-9(14)2-1-7(11)3-10(12(15)18)8-5-16-17-6-8/h1-2,4-6,10H,3H2,(H2,15,18)(H,16,17)
InChIKeyBLGXOAZSSGFVRE-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.01
Rot. Bonds4

About 3-(2-chloro-4-fluorophenyl)-2-(1H-pyrazol-4-yl)propanamide

3-(2-chloro-4-fluorophenyl)-2-(1H-pyrazol-4-yl)propanamide (PubChem CID 90980328) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-2-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-2-(1H-pyrazol-4-yl)propanamide
PubChem CID90980328
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name3-(2-chloro-4-fluorophenyl)-2-(1H-pyrazol-4-yl)propanamide
SMILESNC(=O)C(Cc1ccc(F)cc1Cl)c1cn[nH]c1
InChIInChI=1S/C12H11ClFN3O/c13-11-4-9(14)2-1-7(11)3-10(12(15)18)8-5-16-17-6-8/h1-2,4-6,10H,3H2,(H2,15,18)(H,16,17)
InChIKeyBLGXOAZSSGFVRE-UHFFFAOYSA-N
XLogP2.01
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-4-fluorophenyl)-2-(1,4-dimethylpyrazol-5-yl)propanamide
CID 91277449
2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103855757
1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 65361780
methyl 2-[(2-chloro-4-fluorophenyl)methyl]-3-oxopentanoate
CID 68785702
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
2-(2-chloro-4-fluorophenyl)-N-(6-chloropyridazin-4-yl)acetamide
CID 162428281
2-bromo-3-(2-chloro-4-fluorophenyl)-1-cyclopropylpropan-1-one
CID 62394988
(2-chloro-4-fluorophenyl)methyl pyridine-2-carboxylate
CID 2214206
2-[1-(1-benzylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-3-(2-chloro-4-fluorophenyl)propanamide
CID 91183456
2-chloro-1-(2,2-diethoxyethyl)-4-fluorobenzene
CID 146004647
1-(4-bromophenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 62607022
ethyl 4-(2-chloro-4-fluorophenyl)-2-ethyl-3-oxobutanoate
CID 63038093

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)-2-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-2-(1H-pyrazol-4-yl)propanamide (CID 90980328) is 3-(2-chloro-4-fluorophenyl)-2-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-2-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-2-(1H-pyrazol-4-yl)propanamide is NC(=O)C(Cc1ccc(F)cc1Cl)c1cn[nH]c1.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-2-(1H-pyrazol-4-yl)propanamide?
The InChIKey is BLGXOAZSSGFVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c13-11-4-9(14)2-1-7(11)3-10(12(15)18)8-5-16-17-6-8/h1-2,4-6,10H,3H2,(H2,15,18)(H,16,17).
What are the key properties of 3-(2-chloro-4-fluorophenyl)-2-(1H-pyrazol-4-yl)propanamide?
3-(2-chloro-4-fluorophenyl)-2-(1H-pyrazol-4-yl)propanamide has a molecular weight of 267.69 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenyl)-2-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 90980328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).