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

C20H20ClFN4O — CID 46887252

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]acetamide
SMILESCc1nn(Cc2cccnc2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C20H20ClFN4O/c1-13-18(14(2)26(25-13)12-15-4-3-7-23-10-15)9-20(27)24-11-16-5-6-17(22)8-19(16)21/h3-8,10H,9,11-12H2,1-2H3,(H,24,27)
InChIKeyYZFYTAYZWQUURW-UHFFFAOYSA-N
MW386.86 g/mol
LogP3.59
Rot. Bonds6

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

N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]acetamide (PubChem CID 46887252) 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-3-ylmethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]acetamide
PubChem CID46887252
Molecular FormulaC20H20ClFN4O
Molecular Weight386.86 g/mol
Exact Mass386.13
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]acetamide
SMILESCc1nn(Cc2cccnc2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C20H20ClFN4O/c1-13-18(14(2)26(25-13)12-15-4-3-7-23-10-15)9-20(27)24-11-16-5-6-17(22)8-19(16)21/h3-8,10H,9,11-12H2,1-2H3,(H,24,27)
InChIKeyYZFYTAYZWQUURW-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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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]acetamide (CID 46887252) is N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]acetamide is Cc1nn(Cc2cccnc2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]acetamide?
The InChIKey is YZFYTAYZWQUURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O/c1-13-18(14(2)26(25-13)12-15-4-3-7-23-10-15)9-20(27)24-11-16-5-6-17(22)8-19(16)21/h3-8,10H,9,11-12H2,1-2H3,(H,24,27).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(pyridin-3-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-3-ylmethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 46887252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).