2-methyl-1-(2-methyl-4H-imidazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one

C32H46N6O4 — CID 159684406

IUPAC2-methyl-1-(2-methyl-4H-imidazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one
SMILESCC(C)C(=O)C1=NC=CC1.CC(C)C(=O)c1ccc[nH]1.CC1=NCC(C(=O)C(C)C)=N1.Cc1cc(C(=O)C(C)C)n[nH]1
InChIInChI=1S/2C8H12N2O.2C8H11NO/c1-5(2)8(11)7-4-9-6(3)10-7;1-5(2)8(11)7-4-6(3)9-10-7;2*1-6(2)8(10)7-4-3-5-9-7/h5H,4H2,1-3H3;4-5H,1-3H3,(H,9,10);3,5-6H,4H2,1-2H3;3-6,9H,1-2H3
InChIKeyMVPJTNKUXOQDLS-UHFFFAOYSA-N
MW578.76 g/mol
LogP6.06
Rot. Bonds8

About 2-methyl-1-(2-methyl-4H-imidazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one

2-methyl-1-(2-methyl-4H-imidazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one (PubChem CID 159684406) has the molecular formula C32H46N6O4 and a molecular weight of 578.76 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-4H-imidazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-4H-imidazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one
PubChem CID159684406
Molecular FormulaC32H46N6O4
Molecular Weight578.76 g/mol
Exact Mass578.36
IUPAC Name2-methyl-1-(2-methyl-4H-imidazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one
SMILESCC(C)C(=O)C1=NC=CC1.CC(C)C(=O)c1ccc[nH]1.CC1=NCC(C(=O)C(C)C)=N1.Cc1cc(C(=O)C(C)C)n[nH]1
InChIInChI=1S/2C8H12N2O.2C8H11NO/c1-5(2)8(11)7-4-9-6(3)10-7;1-5(2)8(11)7-4-6(3)9-10-7;2*1-6(2)8(10)7-4-3-5-9-7/h5H,4H2,1-3H3;4-5H,1-3H3,(H,9,10);3,5-6H,4H2,1-2H3;3-6,9H,1-2H3
InChIKeyMVPJTNKUXOQDLS-UHFFFAOYSA-N
XLogP6.06
TPSA149.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.76
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-methyl-1-(2-methyl-4H-imidazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-4H-imidazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(2-methyl-4H-imidazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one (CID 159684406) is 2-methyl-1-(2-methyl-4H-imidazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(2-methyl-4H-imidazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(2-methyl-4H-imidazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one is CC(C)C(=O)C1=NC=CC1.CC(C)C(=O)c1ccc[nH]1.CC1=NCC(C(=O)C(C)C)=N1.Cc1cc(C(=O)C(C)C)n[nH]1.
What is the InChIKey of 2-methyl-1-(2-methyl-4H-imidazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one?
The InChIKey is MVPJTNKUXOQDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H12N2O.2C8H11NO/c1-5(2)8(11)7-4-9-6(3)10-7;1-5(2)8(11)7-4-6(3)9-10-7;2*1-6(2)8(10)7-4-3-5-9-7/h5H,4H2,1-3H3;4-5H,1-3H3,(H,9,10);3,5-6H,4H2,1-2H3;3-6,9H,1-2H3.
What are the key properties of 2-methyl-1-(2-methyl-4H-imidazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one?
2-methyl-1-(2-methyl-4H-imidazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one has a molecular weight of 578.76 g/mol, XLogP of 6.06, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-4H-imidazol-5-yl)propan-1-one;2-methyl-1-(5-methyl-1H-pyrazol-3-yl)propan-1-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one is sourced from PubChem (CID 159684406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).