2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide

C13H20N6O — CID 91834462

IUPAC2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCc1nccn1CCN(C)CC(=O)Nc1ccn(C)n1
InChIInChI=1S/C13H20N6O/c1-11-14-5-7-19(11)9-8-17(2)10-13(20)15-12-4-6-18(3)16-12/h4-7H,8-10H2,1-3H3,(H,15,16,20)
InChIKeyXDPHXZDJUKMZIG-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.50
Rot. Bonds6

About 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide

2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 91834462) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID91834462
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCc1nccn1CCN(C)CC(=O)Nc1ccn(C)n1
InChIInChI=1S/C13H20N6O/c1-11-14-5-7-19(11)9-8-17(2)10-13(20)15-12-4-6-18(3)16-12/h4-7H,8-10H2,1-3H3,(H,15,16,20)
InChIKeyXDPHXZDJUKMZIG-UHFFFAOYSA-N
XLogP0.50
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid
CID 61493400
2-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 124842082
N-(1-tert-butylpyrazol-3-yl)-4-(2-methylimidazol-1-yl)butanamide
CID 56783099
2-[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]-N-(1-methylpyrazol-3-yl)acetamide
CID 91840008
2-methyl-4-[4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]phenyl]butan-2-ol
CID 70753429
2-[methyl-[(2S)-2-morpholin-4-ylpropyl]amino]-N-(1-methylpyrazol-3-yl)acetamide
CID 124756782
4-(2-methylimidazol-1-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]butanamide
CID 56785420
1-N-methyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]propane-1,2-diamine
CID 63759365
3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide
CID 177229835
3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propanimidamide
CID 61493494
N-(1-methylpyrazol-3-yl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 124758545
3,5-dimethyl-2-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one
CID 91829123

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide (CID 91834462) is 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide is Cc1nccn1CCN(C)CC(=O)Nc1ccn(C)n1.
What is the InChIKey of 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is XDPHXZDJUKMZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-11-14-5-7-19(11)9-8-17(2)10-13(20)15-12-4-6-18(3)16-12/h4-7H,8-10H2,1-3H3,(H,15,16,20).
What are the key properties of 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide?
2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 276.34 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 91834462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).