N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide

C15H18ClFN4O — CID 72908654

IUPACN-[2-(4-chloropyrazol-1-yl)ethyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
SMILESCN(C)C(C(=O)NCCn1cc(Cl)cn1)c1ccc(F)cc1
InChIInChI=1S/C15H18ClFN4O/c1-20(2)14(11-3-5-13(17)6-4-11)15(22)18-7-8-21-10-12(16)9-19-21/h3-6,9-10,14H,7-8H2,1-2H3,(H,18,22)
InChIKeyPXGMRAFVJXLMDO-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.09
Rot. Bonds6

About N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide

N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide (PubChem CID 72908654) has the molecular formula C15H18ClFN4O and a molecular weight of 324.79 g/mol. Its IUPAC name is N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chloropyrazol-1-yl)ethyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
PubChem CID72908654
Molecular FormulaC15H18ClFN4O
Molecular Weight324.79 g/mol
Exact Mass324.12
IUPAC NameN-[2-(4-chloropyrazol-1-yl)ethyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
SMILESCN(C)C(C(=O)NCCn1cc(Cl)cn1)c1ccc(F)cc1
InChIInChI=1S/C15H18ClFN4O/c1-20(2)14(11-3-5-13(17)6-4-11)15(22)18-7-8-21-10-12(16)9-19-21/h3-6,9-10,14H,7-8H2,1-2H3,(H,18,22)
InChIKeyPXGMRAFVJXLMDO-UHFFFAOYSA-N
XLogP2.09
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(1H-pyrazol-1-ylmethyl)-1,4-diazepan-2-one
CID 23646452
3-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-isopropylbenzamide
CID 658362
4-chloro-1-ethyl-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 2941510
3-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-isobutylbenzamide
CID 3238106
N-cyclohexyl-2-(3-fluoro-N-(2-pyrazol-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 68056678
N-(3,4-difluorobenzyl)-3-{1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]piperidin-3-yl}propanamide
CID 16191462
N-ethyl-2-[1-(4-fluorobenzyl)-3-oxo-2-piperazinyl]-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
CID 16191808
1-[(2-fluorophenyl)methyl]-6-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24819201
N-[1-(hydroxyamino)-3-[4-(1-methylpyrazol-4-yl)phenyl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 127026518
N-[2-(hydroxyamino)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 127039576
4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-cyclohexylbenzamide
CID 891700
3-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-cyclohexylbenzamide
CID 2164581

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide (CID 72908654) is N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide is CN(C)C(C(=O)NCCn1cc(Cl)cn1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide?
The InChIKey is PXGMRAFVJXLMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN4O/c1-20(2)14(11-3-5-13(17)6-4-11)15(22)18-7-8-21-10-12(16)9-19-21/h3-6,9-10,14H,7-8H2,1-2H3,(H,18,22).
What are the key properties of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide?
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide has a molecular weight of 324.79 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 72908654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).