N-(6-amino-3-pyridinyl)-2-pyrazol-1-ylpropanamide

C11H13N5O — CID 55130465

IUPACN-(6-amino-3-pyridinyl)-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(N)nc1)n1cccn1
InChIInChI=1S/C11H13N5O/c1-8(16-6-2-5-14-16)11(17)15-9-3-4-10(12)13-7-9/h2-8H,1H3,(H2,12,13)(H,15,17)
InChIKeyRJQMOTLUEIWZEL-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.06
Rot. Bonds3

About N-(6-amino-3-pyridinyl)-2-pyrazol-1-ylpropanamide

N-(6-amino-3-pyridinyl)-2-pyrazol-1-ylpropanamide (PubChem CID 55130465) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-2-pyrazol-1-ylpropanamide
PubChem CID55130465
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-(6-amino-3-pyridinyl)-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(N)nc1)n1cccn1
InChIInChI=1S/C11H13N5O/c1-8(16-6-2-5-14-16)11(17)15-9-3-4-10(12)13-7-9/h2-8H,1H3,(H2,12,13)(H,15,17)
InChIKeyRJQMOTLUEIWZEL-UHFFFAOYSA-N
XLogP1.06
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-2-pyrazol-1-ylpropanamide (CID 55130465) is N-(6-amino-3-pyridinyl)-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-2-pyrazol-1-ylpropanamide is CC(C(=O)Nc1ccc(N)nc1)n1cccn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-2-pyrazol-1-ylpropanamide?
The InChIKey is RJQMOTLUEIWZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-8(16-6-2-5-14-16)11(17)15-9-3-4-10(12)13-7-9/h2-8H,1H3,(H2,12,13)(H,15,17).
What are the key properties of N-(6-amino-3-pyridinyl)-2-pyrazol-1-ylpropanamide?
N-(6-amino-3-pyridinyl)-2-pyrazol-1-ylpropanamide has a molecular weight of 231.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 55130465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).