2-(4-aminopyrazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide

C13H15FN4O — CID 43445345

IUPAC2-(4-aminopyrazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESNc1cnn(CC(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C13H15FN4O/c14-12-4-2-1-3-10(12)5-6-16-13(19)9-18-8-11(15)7-17-18/h1-4,7-8H,5-6,9,15H2,(H,16,19)
InChIKeyQXPGMEBKOOGADX-UHFFFAOYSA-N
MW262.29 g/mol
LogP0.96
Rot. Bonds5

About 2-(4-aminopyrazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide

2-(4-aminopyrazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide (PubChem CID 43445345) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide
PubChem CID43445345
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name2-(4-aminopyrazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESNc1cnn(CC(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C13H15FN4O/c14-12-4-2-1-3-10(12)5-6-16-13(19)9-18-8-11(15)7-17-18/h1-4,7-8H,5-6,9,15H2,(H,16,19)
InChIKeyQXPGMEBKOOGADX-UHFFFAOYSA-N
XLogP0.96
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 115458883
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(2,6-difluorophenyl)acetamide
CID 115319698
2-(4-aminopyrazol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 43382460
2-(4-acetamidotriazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 112529383
2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 43445471
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
2-(4-aminopyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 62879757
N-[2-(2-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112529386
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide
CID 115319778
2-(4-aminopyrazol-1-yl)-N-benzylacetamide
CID 28973852
N-[1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 92632302
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide (CID 43445345) is 2-(4-aminopyrazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide is Nc1cnn(CC(=O)NCCc2ccccc2F)c1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide?
The InChIKey is QXPGMEBKOOGADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-12-4-2-1-3-10(12)5-6-16-13(19)9-18-8-11(15)7-17-18/h1-4,7-8H,5-6,9,15H2,(H,16,19).
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide?
2-(4-aminopyrazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide has a molecular weight of 262.29 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 43445345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).