N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-pyridin-2-ylacetamide

C16H14Cl2N4O — CID 177062026

IUPACN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)NC1=NN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H14Cl2N4O/c17-13-5-4-12(10-14(13)18)22-8-6-15(21-22)20-16(23)9-11-3-1-2-7-19-11/h1-5,7,10H,6,8-9H2,(H,20,21,23)
InChIKeyMAFWFBOKQXMZNG-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.27
Rot. Bonds3

About N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-pyridin-2-ylacetamide

N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-pyridin-2-ylacetamide (PubChem CID 177062026) has the molecular formula C16H14Cl2N4O and a molecular weight of 349.22 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-pyridin-2-ylacetamide
PubChem CID177062026
Molecular FormulaC16H14Cl2N4O
Molecular Weight349.22 g/mol
Exact Mass348.05
IUPAC NameN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)NC1=NN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H14Cl2N4O/c17-13-5-4-12(10-14(13)18)22-8-6-15(21-22)20-16(23)9-11-3-1-2-7-19-11/h1-5,7,10H,6,8-9H2,(H,20,21,23)
InChIKeyMAFWFBOKQXMZNG-UHFFFAOYSA-N
XLogP3.27
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-5-carboxamide
CID 177061825
3-[2-[2-[2-[3-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 177062315
3-[2-[2-[3-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoic acid
CID 177062058
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-5-methylheptanamide
CID 177135458
4-chloro-N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]benzamide
CID 15580737
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2,5-dihydro-1H-pyrrole-3-carboxamide
CID 177062079
3,5-dichloro-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid
CID 43331451
CID 177061894
CID 177061894
N-phenyl-2-pyridin-2-ylacetamide chloride
CID 21234777
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-[methyl(piperidin-3-yl)amino]acetamide
CID 177062049
N-(3-acetamidophenyl)-2-pyridin-2-ylacetamide
CID 110697004
6-[[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 177062253

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-pyridin-2-ylacetamide (CID 177062026) is N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-pyridin-2-ylacetamide is O=C(Cc1ccccn1)NC1=NN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-pyridin-2-ylacetamide?
The InChIKey is MAFWFBOKQXMZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O/c17-13-5-4-12(10-14(13)18)22-8-6-15(21-22)20-16(23)9-11-3-1-2-7-19-11/h1-5,7,10H,6,8-9H2,(H,20,21,23).
What are the key properties of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-pyridin-2-ylacetamide?
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-pyridin-2-ylacetamide has a molecular weight of 349.22 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 177062026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).