N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide

C14H19N5O — CID 51078680

IUPACN-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)NCc1ccnc(N(C)C)c1)n1cccn1
InChIInChI=1S/C14H19N5O/c1-11(19-8-4-6-17-19)14(20)16-10-12-5-7-15-13(9-12)18(2)3/h4-9,11H,10H2,1-3H3,(H,16,20)
InChIKeyKFEWCXZLELEURY-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.22
Rot. Bonds5

About N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide

N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide (PubChem CID 51078680) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide
PubChem CID51078680
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)NCc1ccnc(N(C)C)c1)n1cccn1
InChIInChI=1S/C14H19N5O/c1-11(19-8-4-6-17-19)14(20)16-10-12-5-7-15-13(9-12)18(2)3/h4-9,11H,10H2,1-3H3,(H,16,20)
InChIKeyKFEWCXZLELEURY-UHFFFAOYSA-N
XLogP1.22
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide (CID 51078680) is N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide is CC(C(=O)NCc1ccnc(N(C)C)c1)n1cccn1.
What is the InChIKey of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is KFEWCXZLELEURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11(19-8-4-6-17-19)14(20)16-10-12-5-7-15-13(9-12)18(2)3/h4-9,11H,10H2,1-3H3,(H,16,20).
What are the key properties of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide?
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 273.34 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 51078680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).