N-methyl-2-[4-(pyrimidin-5-ylmethylamino)pyrazol-1-yl]acetamide

C11H14N6O — CID 62760481

IUPACN-methyl-2-[4-(pyrimidin-5-ylmethylamino)pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1cc(NCc2cncnc2)cn1
InChIInChI=1S/C11H14N6O/c1-12-11(18)7-17-6-10(5-16-17)15-4-9-2-13-8-14-3-9/h2-3,5-6,8,15H,4,7H2,1H3,(H,12,18)
InChIKeyDLNCBUQYVFYJIW-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.03
Rot. Bonds5

About N-methyl-2-[4-(pyrimidin-5-ylmethylamino)pyrazol-1-yl]acetamide

N-methyl-2-[4-(pyrimidin-5-ylmethylamino)pyrazol-1-yl]acetamide (PubChem CID 62760481) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is N-methyl-2-[4-(pyrimidin-5-ylmethylamino)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(pyrimidin-5-ylmethylamino)pyrazol-1-yl]acetamide
PubChem CID62760481
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC NameN-methyl-2-[4-(pyrimidin-5-ylmethylamino)pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1cc(NCc2cncnc2)cn1
InChIInChI=1S/C11H14N6O/c1-12-11(18)7-17-6-10(5-16-17)15-4-9-2-13-8-14-3-9/h2-3,5-6,8,15H,4,7H2,1H3,(H,12,18)
InChIKeyDLNCBUQYVFYJIW-UHFFFAOYSA-N
XLogP0.03
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-[4-(pyrimidin-5-ylmethylamino)pyrazol-1-yl]acetamide
CID 62760299
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-methylfuran-2-yl)methylamino]pyrazol-1-yl]acetamide
CID 113243090
2-[4-(hexylamino)pyrazol-1-yl]-N-methylacetamide
CID 54866489
N-methyl-2-[4-(3-methylsulfanylpropylamino)pyrazol-1-yl]acetamide
CID 60932429
2-[4-[(3-fluoro-5-pyridin-3-ylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 166336459
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
2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 78928765
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 60946190

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(pyrimidin-5-ylmethylamino)pyrazol-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-(pyrimidin-5-ylmethylamino)pyrazol-1-yl]acetamide (CID 62760481) is N-methyl-2-[4-(pyrimidin-5-ylmethylamino)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(pyrimidin-5-ylmethylamino)pyrazol-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-(pyrimidin-5-ylmethylamino)pyrazol-1-yl]acetamide is CNC(=O)Cn1cc(NCc2cncnc2)cn1.
What is the InChIKey of N-methyl-2-[4-(pyrimidin-5-ylmethylamino)pyrazol-1-yl]acetamide?
The InChIKey is DLNCBUQYVFYJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-12-11(18)7-17-6-10(5-16-17)15-4-9-2-13-8-14-3-9/h2-3,5-6,8,15H,4,7H2,1H3,(H,12,18).
What are the key properties of N-methyl-2-[4-(pyrimidin-5-ylmethylamino)pyrazol-1-yl]acetamide?
N-methyl-2-[4-(pyrimidin-5-ylmethylamino)pyrazol-1-yl]acetamide has a molecular weight of 246.27 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(pyrimidin-5-ylmethylamino)pyrazol-1-yl]acetamide is sourced from PubChem (CID 62760481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).