N-[2-[4-(4-chlorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide

C22H21ClN6O — CID 95850915

IUPACN-[2-[4-(4-chlorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide
SMILESCn1ccnc1-c1c(-c2ccc(Cl)cc2)cnn1CCNC(=O)Cc1cccnc1
InChIInChI=1S/C22H21ClN6O/c1-28-11-9-26-22(28)21-19(17-4-6-18(23)7-5-17)15-27-29(21)12-10-25-20(30)13-16-3-2-8-24-14-16/h2-9,11,14-15H,10,12-13H2,1H3,(H,25,30)
InChIKeyOZWAYWGOKNQZFT-UHFFFAOYSA-N
MW420.90 g/mol
LogP3.36
Rot. Bonds7

About N-[2-[4-(4-chlorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide

N-[2-[4-(4-chlorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide (PubChem CID 95850915) has the molecular formula C22H21ClN6O and a molecular weight of 420.90 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide
PubChem CID95850915
Molecular FormulaC22H21ClN6O
Molecular Weight420.90 g/mol
Exact Mass420.15
IUPAC NameN-[2-[4-(4-chlorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide
SMILESCn1ccnc1-c1c(-c2ccc(Cl)cc2)cnn1CCNC(=O)Cc1cccnc1
InChIInChI=1S/C22H21ClN6O/c1-28-11-9-26-22(28)21-19(17-4-6-18(23)7-5-17)15-27-29(21)12-10-25-20(30)13-16-3-2-8-24-14-16/h2-9,11,14-15H,10,12-13H2,1H3,(H,25,30)
InChIKeyOZWAYWGOKNQZFT-UHFFFAOYSA-N
XLogP3.36
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-(2-methoxyphenyl)acetamide
CID 92567615
N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide
CID 95850905
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-pyridin-3-ylacetamide
CID 91778395
N-[2-[4-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-methoxyacetamide
CID 92567455
2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476101
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
N-[2-[4-(4-fluorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-(4-methylphenyl)acetamide
CID 92557814
2-pyridin-3-ylacetyl chloride
CID 14697475
N-[2-(2,6-dichlorophenoxy)ethyl]-2-pyridin-3-ylacetamide
CID 19871620
N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyridin-3-ylacetamide
CID 91782592
N-(3-aminobutyl)-2-pyridin-3-ylacetamide
CID 63253983
N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2-pyridin-3-ylacetamide
CID 122280767

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[2-[4-(4-chlorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide (CID 95850915) is N-[2-[4-(4-chlorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide is Cn1ccnc1-c1c(-c2ccc(Cl)cc2)cnn1CCNC(=O)Cc1cccnc1.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide?
The InChIKey is OZWAYWGOKNQZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O/c1-28-11-9-26-22(28)21-19(17-4-6-18(23)7-5-17)15-27-29(21)12-10-25-20(30)13-16-3-2-8-24-14-16/h2-9,11,14-15H,10,12-13H2,1H3,(H,25,30).
What are the key properties of N-[2-[4-(4-chlorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide?
N-[2-[4-(4-chlorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide has a molecular weight of 420.90 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 95850915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).