N-cyclopropyl-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide

C22H22Cl2N4O — CID 55687223

IUPACN-cyclopropyl-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C22H22Cl2N4O/c1-14-19(15(2)28(26-14)18-8-9-20(23)21(24)11-18)12-22(29)27(17-6-7-17)13-16-5-3-4-10-25-16/h3-5,8-11,17H,6-7,12-13H2,1-2H3
InChIKeyDPGIAIPTFVJAMO-UHFFFAOYSA-N
MW429.35 g/mol
LogP4.92
Rot. Bonds6

About N-cyclopropyl-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide

N-cyclopropyl-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 55687223) has the molecular formula C22H22Cl2N4O and a molecular weight of 429.35 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID55687223
Molecular FormulaC22H22Cl2N4O
Molecular Weight429.35 g/mol
Exact Mass428.12
IUPAC NameN-cyclopropyl-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C22H22Cl2N4O/c1-14-19(15(2)28(26-14)18-8-9-20(23)21(24)11-18)12-22(29)27(17-6-7-17)13-16-5-3-4-10-25-16/h3-5,8-11,17H,6-7,12-13H2,1-2H3
InChIKeyDPGIAIPTFVJAMO-UHFFFAOYSA-N
XLogP4.92
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.35
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-phenylacetamide
CID 39035133
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
methyl 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 61381106
N-cyclopropyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-methylcyclohexyl)acetamide
CID 55595083
2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 56535840
2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 39273650
ethyl N-cyclopropyl-N-(pyridin-2-ylmethyl)carbamate
CID 60665020
N-(2-anilino-2-oxoethyl)-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55958417
N-cyclopropyl-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55596695
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 9206139
2-(3,4-dichlorophenyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 39763365
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 60550448

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 55687223) is N-cyclopropyl-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide is Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N(Cc1ccccn1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is DPGIAIPTFVJAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O/c1-14-19(15(2)28(26-14)18-8-9-20(23)21(24)11-18)12-22(29)27(17-6-7-17)13-16-5-3-4-10-25-16/h3-5,8-11,17H,6-7,12-13H2,1-2H3.
What are the key properties of N-cyclopropyl-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
N-cyclopropyl-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 429.35 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 55687223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).