2-(4-chlorophenoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide

C20H21ClN4O2 — CID 78806510

IUPAC2-(4-chlorophenoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide
SMILESCN(C)c1ccc(Cn2nccc2NC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClN4O2/c1-24(2)17-7-3-15(4-8-17)13-25-19(11-12-22-25)23-20(26)14-27-18-9-5-16(21)6-10-18/h3-12H,13-14H2,1-2H3,(H,23,26)
InChIKeyVQRQPCRJSDWNLF-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.67
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide

2-(4-chlorophenoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide (PubChem CID 78806510) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide
PubChem CID78806510
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name2-(4-chlorophenoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide
SMILESCN(C)c1ccc(Cn2nccc2NC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClN4O2/c1-24(2)17-7-3-15(4-8-17)13-25-19(11-12-22-25)23-20(26)14-27-18-9-5-16(21)6-10-18/h3-12H,13-14H2,1-2H3,(H,23,26)
InChIKeyVQRQPCRJSDWNLF-UHFFFAOYSA-N
XLogP3.67
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide
CID 2542749
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-(2-hydroxyphenoxy)acetamide
CID 78806525
N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide
CID 35579074
4-(4-acetylphenoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]butanamide
CID 78806576
2-(4-bromophenyl)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide
CID 78806526
N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide
CID 7589903
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-nitrophenoxy)acetamide
CID 51287740
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(4-cyanophenoxy)acetamide
CID 7504756
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-3-(4-fluorophenyl)propanamide
CID 78806750
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-(2-fluorophenyl)sulfanylacetamide
CID 86906709
N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 112814343
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-thiophen-2-ylacetamide
CID 86906675

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide (CID 78806510) is 2-(4-chlorophenoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide is CN(C)c1ccc(Cn2nccc2NC(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide?
The InChIKey is VQRQPCRJSDWNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-24(2)17-7-3-15(4-8-17)13-25-19(11-12-22-25)23-20(26)14-27-18-9-5-16(21)6-10-18/h3-12H,13-14H2,1-2H3,(H,23,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide?
2-(4-chlorophenoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide has a molecular weight of 384.87 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 78806510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).