N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide

C20H20ClFN4O2 — CID 58157031

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCOc1ncccc1-n1nc(C)c(CC(=O)NCc2ccc(F)cc2Cl)c1C
InChIInChI=1S/C20H20ClFN4O2/c1-12-16(10-19(27)24-11-14-6-7-15(22)9-17(14)21)13(2)26(25-12)18-5-4-8-23-20(18)28-3/h4-9H,10-11H2,1-3H3,(H,24,27)
InChIKeyKDRSZLIDZPCWQR-UHFFFAOYSA-N
MW402.86 g/mol
LogP3.54
Rot. Bonds6

About N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide

N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 58157031) has the molecular formula C20H20ClFN4O2 and a molecular weight of 402.86 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID58157031
Molecular FormulaC20H20ClFN4O2
Molecular Weight402.86 g/mol
Exact Mass402.13
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCOc1ncccc1-n1nc(C)c(CC(=O)NCc2ccc(F)cc2Cl)c1C
InChIInChI=1S/C20H20ClFN4O2/c1-12-16(10-19(27)24-11-14-6-7-15(22)9-17(14)21)13(2)26(25-12)18-5-4-8-23-20(18)28-3/h4-9H,10-11H2,1-3H3,(H,24,27)
InChIKeyKDRSZLIDZPCWQR-UHFFFAOYSA-N
XLogP3.54
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-((1-(3-chloro-4-cyanophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)oxy)pyridin-3-yl)-2,2-dimethylpropanamide
CID 44240609
N-(6-{[1-(3-chloro-4-cyanophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]oxy}pyridin-3-yl)acetamide
CID 57403630
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 25106832
N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(4-methyl-3-pyridinyl)pyrazol-4-yl]acetamide
CID 58156988
N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(6-methyl-3-pyridinyl)pyrazol-4-yl]acetamide
CID 58156992
N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-yl]acetamide
CID 58157004
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 58157041
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(6-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 58157053
N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrazol-4-yl]acetamide
CID 58157075
4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-(2-methoxypyridin-3-yl)-3-methyl-4,5-dihydropyrrolo-[3,4-c]pyrazol-6(1H)-one
CID 86292387
(4R)-4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methoxy-3-pyridinyl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 91826329
US10138222, Example 26
CID 134325408

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 58157031) is N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide is COc1ncccc1-n1nc(C)c(CC(=O)NCc2ccc(F)cc2Cl)c1C.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is KDRSZLIDZPCWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O2/c1-12-16(10-19(27)24-11-14-6-7-15(22)9-17(14)21)13(2)26(25-12)18-5-4-8-23-20(18)28-3/h4-9H,10-11H2,1-3H3,(H,24,27).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 402.86 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 58157031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).