N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide

C20H20ClFN4O — CID 25107015

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide
SMILESCc1nn(Cc2ccncc2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C20H20ClFN4O/c1-13-18(14(2)26(25-13)12-15-5-7-23-8-6-15)10-20(27)24-11-16-3-4-17(22)9-19(16)21/h3-9H,10-12H2,1-2H3,(H,24,27)
InChIKeyIFDMXJPLKXIKAP-UHFFFAOYSA-N
MW386.86 g/mol
LogP3.59
Rot. Bonds6

About N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide

N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide (PubChem CID 25107015) has the molecular formula C20H20ClFN4O and a molecular weight of 386.86 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide
PubChem CID25107015
Molecular FormulaC20H20ClFN4O
Molecular Weight386.86 g/mol
Exact Mass386.13
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide
SMILESCc1nn(Cc2ccncc2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C20H20ClFN4O/c1-13-18(14(2)26(25-13)12-15-5-7-23-8-6-15)10-20(27)24-11-16-3-4-17(22)9-19(16)21/h3-9H,10-12H2,1-2H3,(H,24,27)
InChIKeyIFDMXJPLKXIKAP-UHFFFAOYSA-N
XLogP3.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)phenyl]isonicotinamide
CID 23723986
N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9209741
N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9268807
N-[4-[3-(Trifluoromethyl)-5-chloro-1H-pyrazole-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
CID 10715078
N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25106221
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 25106658
N-[(2-chloro-4-fluorophenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 25106660
2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-[(2-chloro-4-fluorophenyl)methyl]acetamide
CID 25106741
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 25106743
N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetamide
CID 25107017
6-Chloro-N-(2-(1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamido)ethyl)nicotinamide
CID 46885190
N-[(2-chloro-4-fluorophenyl)methyl]-2-(3-methyl-1-phenylpyrazol-4-yl)acetamide
CID 46887145

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide (CID 25107015) is N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide is Cc1nn(Cc2ccncc2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide?
The InChIKey is IFDMXJPLKXIKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O/c1-13-18(14(2)26(25-13)12-15-5-7-23-8-6-15)10-20(27)24-11-16-3-4-17(22)9-19(16)21/h3-9H,10-12H2,1-2H3,(H,24,27).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide has a molecular weight of 386.86 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 25107015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).