2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]pyrazol-1-yl]-N-methylacetamide

C13H17N5O2 — CID 78928765

IUPAC2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NCc2nc(C)ccc2O)cn1
InChIInChI=1S/C13H17N5O2/c1-9-3-4-12(19)11(17-9)6-15-10-5-16-18(7-10)8-13(20)14-2/h3-5,7,15,19H,6,8H2,1-2H3,(H,14,20)
InChIKeyLCYYRFQXADHLFW-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.65
Rot. Bonds5

About 2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]pyrazol-1-yl]-N-methylacetamide

2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]pyrazol-1-yl]-N-methylacetamide (PubChem CID 78928765) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]pyrazol-1-yl]-N-methylacetamide
PubChem CID78928765
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NCc2nc(C)ccc2O)cn1
InChIInChI=1S/C13H17N5O2/c1-9-3-4-12(19)11(17-9)6-15-10-5-16-18(7-10)8-13(20)14-2/h3-5,7,15,19H,6,8H2,1-2H3,(H,14,20)
InChIKeyLCYYRFQXADHLFW-UHFFFAOYSA-N
XLogP0.65
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]pyrazol-1-yl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-[4-[(3-methylfuran-2-yl)methylamino]pyrazol-1-yl]acetamide
CID 113243090
N-methyl-2-[4-(pyrimidin-5-ylmethylamino)pyrazol-1-yl]acetamide
CID 62760481
2-[4-[(3,5-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60932423
2-[4-[(4-cyclopropylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 79968644
2-[4-[(5-bromofuran-2-yl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 54866454
N-methyl-2-[4-(3-methylsulfanylpropylamino)pyrazol-1-yl]acetamide
CID 60932429
2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60931328
2-[4-[(2,4-difluorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60931443
tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]ethyl]carbamate
CID 115606254
N-methyl-2-[4-[[5-(trifluoromethyl)-1H-pyrrol-2-yl]methylamino]pyrazol-1-yl]acetamide
CID 127266991
2-[4-(hexylamino)pyrazol-1-yl]-N-methylacetamide
CID 54866489
N-methyl-2-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]acetamide
CID 121497314

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]pyrazol-1-yl]-N-methylacetamide (CID 78928765) is 2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]pyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(NCc2nc(C)ccc2O)cn1.
What is the InChIKey of 2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]pyrazol-1-yl]-N-methylacetamide?
The InChIKey is LCYYRFQXADHLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9-3-4-12(19)11(17-9)6-15-10-5-16-18(7-10)8-13(20)14-2/h3-5,7,15,19H,6,8H2,1-2H3,(H,14,20).
What are the key properties of 2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]pyrazol-1-yl]-N-methylacetamide?
2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]pyrazol-1-yl]-N-methylacetamide has a molecular weight of 275.31 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 78928765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).