3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide

C12H17N5O2 — CID 112524744

IUPAC3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCn2c(C)c(C)[nH]c2=O)n[nH]1
InChIInChI=1S/C12H17N5O2/c1-7-6-10(16-15-7)14-11(18)4-5-17-9(3)8(2)13-12(17)19/h6H,4-5H2,1-3H3,(H,13,19)(H2,14,15,16,18)
InChIKeyWMDIJHHYRJKGLM-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.85
Rot. Bonds4

About 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide

3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide (PubChem CID 112524744) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
PubChem CID112524744
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCn2c(C)c(C)[nH]c2=O)n[nH]1
InChIInChI=1S/C12H17N5O2/c1-7-6-10(16-15-7)14-11(18)4-5-17-9(3)8(2)13-12(17)19/h6H,4-5H2,1-3H3,(H,13,19)(H2,14,15,16,18)
InChIKeyWMDIJHHYRJKGLM-UHFFFAOYSA-N
XLogP0.85
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide (CID 112524744) is 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide is Cc1cc(NC(=O)CCn2c(C)c(C)[nH]c2=O)n[nH]1.
What is the InChIKey of 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is WMDIJHHYRJKGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-7-6-10(16-15-7)14-11(18)4-5-17-9(3)8(2)13-12(17)19/h6H,4-5H2,1-3H3,(H,13,19)(H2,14,15,16,18).
What are the key properties of 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 263.30 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 112524744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).