N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

C11H16N6O — CID 79530881

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NCc2cn[nH]c2N)n1
InChIInChI=1S/C11H16N6O/c1-7-3-8(2)17(16-7)6-10(18)13-4-9-5-14-15-11(9)12/h3,5H,4,6H2,1-2H3,(H,13,18)(H3,12,14,15)
InChIKeyVKUHIULPFCUIMN-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.12
Rot. Bonds4

About N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 79530881) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID79530881
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NCc2cn[nH]c2N)n1
InChIInChI=1S/C11H16N6O/c1-7-3-8(2)17(16-7)6-10(18)13-4-9-5-14-15-11(9)12/h3,5H,4,6H2,1-2H3,(H,13,18)(H3,12,14,15)
InChIKeyVKUHIULPFCUIMN-UHFFFAOYSA-N
XLogP0.12
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminopropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 63733136
2-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62040075
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 573590
2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide
CID 19525804
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 62659650
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 79529836
N-(cyclopropylmethyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55028096
N-(azetidin-3-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 66185586
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037208
N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 79531339
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4,4-trimethylpentanamide
CID 79531018
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 81368159

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 79530881) is N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)NCc2cn[nH]c2N)n1.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is VKUHIULPFCUIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-7-3-8(2)17(16-7)6-10(18)13-4-9-5-14-15-11(9)12/h3,5H,4,6H2,1-2H3,(H,13,18)(H3,12,14,15).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 248.29 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 79530881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).