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

C12H14N4O2 — CID 51076826

IUPACN-(6-methoxy-3-pyridinyl)-2-pyrazol-1-ylpropanamide
SMILESCOc1ccc(NC(=O)C(C)n2cccn2)cn1
InChIInChI=1S/C12H14N4O2/c1-9(16-7-3-6-14-16)12(17)15-10-4-5-11(18-2)13-8-10/h3-9H,1-2H3,(H,15,17)
InChIKeyZZIXJNQJKZJWFI-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.49
Rot. Bonds4

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

N-(6-methoxy-3-pyridinyl)-2-pyrazol-1-ylpropanamide (PubChem CID 51076826) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-2-pyrazol-1-ylpropanamide
PubChem CID51076826
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-(6-methoxy-3-pyridinyl)-2-pyrazol-1-ylpropanamide
SMILESCOc1ccc(NC(=O)C(C)n2cccn2)cn1
InChIInChI=1S/C12H14N4O2/c1-9(16-7-3-6-14-16)12(17)15-10-4-5-11(18-2)13-8-10/h3-9H,1-2H3,(H,15,17)
InChIKeyZZIXJNQJKZJWFI-UHFFFAOYSA-N
XLogP1.49
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-2-pyrazol-1-ylpropanamide (CID 51076826) is N-(6-methoxy-3-pyridinyl)-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-2-pyrazol-1-ylpropanamide is COc1ccc(NC(=O)C(C)n2cccn2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-2-pyrazol-1-ylpropanamide?
The InChIKey is ZZIXJNQJKZJWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-9(16-7-3-6-14-16)12(17)15-10-4-5-11(18-2)13-8-10/h3-9H,1-2H3,(H,15,17).
What are the key properties of N-(6-methoxy-3-pyridinyl)-2-pyrazol-1-ylpropanamide?
N-(6-methoxy-3-pyridinyl)-2-pyrazol-1-ylpropanamide has a molecular weight of 246.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 51076826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).