2-[4-[1-(3,4-difluorophenyl)ethylamino]pyrazol-1-yl]acetamide

C13H14F2N4O — CID 43695171

IUPAC2-[4-[1-(3,4-difluorophenyl)ethylamino]pyrazol-1-yl]acetamide
SMILESCC(Nc1cnn(CC(N)=O)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H14F2N4O/c1-8(9-2-3-11(14)12(15)4-9)18-10-5-17-19(6-10)7-13(16)20/h2-6,8,18H,7H2,1H3,(H2,16,20)
InChIKeyBIFPKQLIEKSQJR-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.82
Rot. Bonds5

About 2-[4-[1-(3,4-difluorophenyl)ethylamino]pyrazol-1-yl]acetamide

2-[4-[1-(3,4-difluorophenyl)ethylamino]pyrazol-1-yl]acetamide (PubChem CID 43695171) has the molecular formula C13H14F2N4O and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[4-[1-(3,4-difluorophenyl)ethylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[1-(3,4-difluorophenyl)ethylamino]pyrazol-1-yl]acetamide
PubChem CID43695171
Molecular FormulaC13H14F2N4O
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-[4-[1-(3,4-difluorophenyl)ethylamino]pyrazol-1-yl]acetamide
SMILESCC(Nc1cnn(CC(N)=O)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H14F2N4O/c1-8(9-2-3-11(14)12(15)4-9)18-10-5-17-19(6-10)7-13(16)20/h2-6,8,18H,7H2,1H3,(H2,16,20)
InChIKeyBIFPKQLIEKSQJR-UHFFFAOYSA-N
XLogP1.82
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]pyrazol-1-yl]acetamide
CID 43783595
2-[4-(1-thieno[3,2-b]pyridin-6-ylethylamino)pyrazol-1-yl]acetamide
CID 64828610
2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide
CID 43783600
2-[4-(2-methylpentan-3-ylamino)pyrazol-1-yl]acetamide
CID 43783563
2-[4-[1-(4-hydroxyphenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 60932192
2-[4-[1-(4-bromophenyl)ethylamino]pyrazol-1-yl]-N-methylacetamide
CID 60931333
2-[5-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide
CID 95624444
N-(2-hydroxyethyl)-2-[4-(1-naphthalen-2-ylethylamino)pyrazol-1-yl]acetamide
CID 110017473
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 8637979
N-methyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide
CID 54866547
2-[4-(heptan-2-ylamino)pyrazol-1-yl]acetamide
CID 43695034
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide
CID 107903728

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3,4-difluorophenyl)ethylamino]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[1-(3,4-difluorophenyl)ethylamino]pyrazol-1-yl]acetamide (CID 43695171) is 2-[4-[1-(3,4-difluorophenyl)ethylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[1-(3,4-difluorophenyl)ethylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[1-(3,4-difluorophenyl)ethylamino]pyrazol-1-yl]acetamide is CC(Nc1cnn(CC(N)=O)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[4-[1-(3,4-difluorophenyl)ethylamino]pyrazol-1-yl]acetamide?
The InChIKey is BIFPKQLIEKSQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O/c1-8(9-2-3-11(14)12(15)4-9)18-10-5-17-19(6-10)7-13(16)20/h2-6,8,18H,7H2,1H3,(H2,16,20).
What are the key properties of 2-[4-[1-(3,4-difluorophenyl)ethylamino]pyrazol-1-yl]acetamide?
2-[4-[1-(3,4-difluorophenyl)ethylamino]pyrazol-1-yl]acetamide has a molecular weight of 280.28 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3,4-difluorophenyl)ethylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 43695171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).