2-(4-chloro-2-fluorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-hydroxyacetamide

C15H18ClFN4O2 — CID 139008887

IUPAC2-(4-chloro-2-fluorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-hydroxyacetamide
SMILESCN(C)CCn1ccc(NC(=O)C(O)c2ccc(Cl)cc2F)n1
InChIInChI=1S/C15H18ClFN4O2/c1-20(2)7-8-21-6-5-13(19-21)18-15(23)14(22)11-4-3-10(16)9-12(11)17/h3-6,9,14,22H,7-8H2,1-2H3,(H,18,19,23)
InChIKeyYOCXWKHIHTYTKV-UHFFFAOYSA-N
MW340.79 g/mol
LogP1.91
Rot. Bonds6

About 2-(4-chloro-2-fluorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-hydroxyacetamide

2-(4-chloro-2-fluorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-hydroxyacetamide (PubChem CID 139008887) has the molecular formula C15H18ClFN4O2 and a molecular weight of 340.79 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-hydroxyacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-hydroxyacetamide
PubChem CID139008887
Molecular FormulaC15H18ClFN4O2
Molecular Weight340.79 g/mol
Exact Mass340.11
IUPAC Name2-(4-chloro-2-fluorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-hydroxyacetamide
SMILESCN(C)CCn1ccc(NC(=O)C(O)c2ccc(Cl)cc2F)n1
InChIInChI=1S/C15H18ClFN4O2/c1-20(2)7-8-21-6-5-13(19-21)18-15(23)14(22)11-4-3-10(16)9-12(11)17/h3-6,9,14,22H,7-8H2,1-2H3,(H,18,19,23)
InChIKeyYOCXWKHIHTYTKV-UHFFFAOYSA-N
XLogP1.91
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-4-methylpentanamide
CID 119870197
tert-butyl N-[(2R)-1-[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]carbamate
CID 60622726
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
CID 60607724
(2S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
CID 95685516
1-(4-chlorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclopentane-1-carboxamide
CID 47088976
4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride
CID 120565170
7-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]heptanamide;dihydrochloride
CID 119870128
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea
CID 111475349
2-(4-chloro-2-fluorophenyl)-2-hydroxy-N-[1-(1,2,4-triazol-4-yl)propan-2-yl]acetamide
CID 166225166
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide
CID 119946927
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride
CID 119946926
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(3-ethylphenyl)urea
CID 75494374

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-hydroxyacetamide?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-hydroxyacetamide (CID 139008887) is 2-(4-chloro-2-fluorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-hydroxyacetamide.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-hydroxyacetamide?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-hydroxyacetamide is CN(C)CCn1ccc(NC(=O)C(O)c2ccc(Cl)cc2F)n1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-hydroxyacetamide?
The InChIKey is YOCXWKHIHTYTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN4O2/c1-20(2)7-8-21-6-5-13(19-21)18-15(23)14(22)11-4-3-10(16)9-12(11)17/h3-6,9,14,22H,7-8H2,1-2H3,(H,18,19,23).
What are the key properties of 2-(4-chloro-2-fluorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-hydroxyacetamide?
2-(4-chloro-2-fluorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-hydroxyacetamide has a molecular weight of 340.79 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-hydroxyacetamide is sourced from PubChem (CID 139008887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).