2-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C15H18F2N4O2 — CID 70758011

IUPAC2-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCOc1ccc(CNC(=O)C(N)c2c(C)n[nH]c2C)c(F)c1F
InChIInChI=1S/C15H18F2N4O2/c1-7-11(8(2)21-20-7)14(18)15(22)19-6-9-4-5-10(23-3)13(17)12(9)16/h4-5,14H,6,18H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyCBRXLTBZXNPQMF-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.63
Rot. Bonds5

About 2-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

2-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 70758011) has the molecular formula C15H18F2N4O2 and a molecular weight of 324.33 g/mol. Its IUPAC name is 2-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID70758011
Molecular FormulaC15H18F2N4O2
Molecular Weight324.33 g/mol
Exact Mass324.14
IUPAC Name2-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCOc1ccc(CNC(=O)C(N)c2c(C)n[nH]c2C)c(F)c1F
InChIInChI=1S/C15H18F2N4O2/c1-7-11(8(2)21-20-7)14(18)15(22)19-6-9-4-5-10(23-3)13(17)12(9)16/h4-5,14H,6,18H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyCBRXLTBZXNPQMF-UHFFFAOYSA-N
XLogP1.63
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 70758011) is 2-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is COc1ccc(CNC(=O)C(N)c2c(C)n[nH]c2C)c(F)c1F.
What is the InChIKey of 2-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is CBRXLTBZXNPQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O2/c1-7-11(8(2)21-20-7)14(18)15(22)19-6-9-4-5-10(23-3)13(17)12(9)16/h4-5,14H,6,18H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 2-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
2-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 324.33 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 70758011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).