2-(3-aminopyrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide

C12H13FN4O — CID 55035632

IUPAC2-(3-aminopyrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESNc1ccn(CC(=O)NCc2ccccc2F)n1
InChIInChI=1S/C12H13FN4O/c13-10-4-2-1-3-9(10)7-15-12(18)8-17-6-5-11(14)16-17/h1-6H,7-8H2,(H2,14,16)(H,15,18)
InChIKeyKGGXICDGKSBKGF-UHFFFAOYSA-N
MW248.26 g/mol
LogP0.92
Rot. Bonds4

About 2-(3-aminopyrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide

2-(3-aminopyrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 55035632) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID55035632
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name2-(3-aminopyrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESNc1ccn(CC(=O)NCc2ccccc2F)n1
InChIInChI=1S/C12H13FN4O/c13-10-4-2-1-3-9(10)7-15-12(18)8-17-6-5-11(14)16-17/h1-6H,7-8H2,(H2,14,16)(H,15,18)
InChIKeyKGGXICDGKSBKGF-UHFFFAOYSA-N
XLogP0.92
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminopyrazol-1-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]acetamide
CID 62111534
(2-fluorophenyl)methyl 2-(3-aminopyrazol-1-yl)acetate
CID 55035595
2-(3-aminopyrazol-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 62113226
2-(3-aminopyrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 62102363
2-(3-aminopyrazol-1-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
CID 62111746
N-(2-acetamidoethyl)-2-(3-aminopyrazol-1-yl)acetamide
CID 62101709
2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 60783095
2-(3-aminopyrazol-1-yl)-N-(3,4,5-trifluorophenyl)acetamide
CID 62810670
2-(3-aminopyrazol-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide
CID 62604621
2-(3-aminopyrazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 62522791
N-[(2-fluorophenyl)methyl]-2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide
CID 31313746
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325322

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide (CID 55035632) is 2-(3-aminopyrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide is Nc1ccn(CC(=O)NCc2ccccc2F)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is KGGXICDGKSBKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c13-10-4-2-1-3-9(10)7-15-12(18)8-17-6-5-11(14)16-17/h1-6H,7-8H2,(H2,14,16)(H,15,18).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide?
2-(3-aminopyrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 248.26 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 55035632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).