2-(4-aminopyrazol-1-yl)-N-benzylacetamide

C12H14N4O — CID 28973852

IUPAC2-(4-aminopyrazol-1-yl)-N-benzylacetamide
SMILESNc1cnn(CC(=O)NCc2ccccc2)c1
InChIInChI=1S/C12H14N4O/c13-11-7-15-16(8-11)9-12(17)14-6-10-4-2-1-3-5-10/h1-5,7-8H,6,9,13H2,(H,14,17)
InChIKeyNSNTZFLNPJIQAZ-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.78
Rot. Bonds4

About 2-(4-aminopyrazol-1-yl)-N-benzylacetamide

2-(4-aminopyrazol-1-yl)-N-benzylacetamide (PubChem CID 28973852) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-benzylacetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-benzylacetamide
PubChem CID28973852
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-(4-aminopyrazol-1-yl)-N-benzylacetamide
SMILESNc1cnn(CC(=O)NCc2ccccc2)c1
InChIInChI=1S/C12H14N4O/c13-11-7-15-16(8-11)9-12(17)14-6-10-4-2-1-3-5-10/h1-5,7-8H,6,9,13H2,(H,14,17)
InChIKeyNSNTZFLNPJIQAZ-UHFFFAOYSA-N
XLogP0.78
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)pyrazol-1-yl]-N-benzylacetamide
CID 63253915
2-(4-aminopyrazol-1-yl)-N-[(3-cyanophenyl)methyl]acetamide
CID 61102362
2-(4-aminopyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 43445218
N-benzyl-2-(4-nitropyrazol-1-yl)acetamide
CID 2983141
2-(4-aminopyrazol-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 61113208
2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 43445471
2-(6-aminoindazol-1-yl)-N-benzylacetamide
CID 22693453
1-[3-(benzylamino)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19622542
2-(4-aminopyrazol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 43382460
2-(4-aminopyrazol-1-yl)-N-(2-methylpropyl)acetamide
CID 43185729
2-(4-aminopyrazol-1-yl)-N-naphthalen-2-ylacetamide
CID 61118519
2-[4-(1-aminoethyl)triazol-1-yl]-N-benzylacetamide
CID 114419675

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-benzylacetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-benzylacetamide (CID 28973852) is 2-(4-aminopyrazol-1-yl)-N-benzylacetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-benzylacetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-benzylacetamide is Nc1cnn(CC(=O)NCc2ccccc2)c1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-benzylacetamide?
The InChIKey is NSNTZFLNPJIQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-11-7-15-16(8-11)9-12(17)14-6-10-4-2-1-3-5-10/h1-5,7-8H,6,9,13H2,(H,14,17).
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-benzylacetamide?
2-(4-aminopyrazol-1-yl)-N-benzylacetamide has a molecular weight of 230.27 g/mol, XLogP of 0.78, 4 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-benzylacetamide is sourced from PubChem (CID 28973852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).