(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone

C12H16N4O2 — CID 114642235

IUPAC(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone
SMILESCOc1cnn(C(C)C)c1C(=O)c1cncn1C
InChIInChI=1S/C12H16N4O2/c1-8(2)16-11(10(18-4)6-14-16)12(17)9-5-13-7-15(9)3/h5-8H,1-4H3
InChIKeyYLCHZSFEQFHLTK-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.44
Rot. Bonds4

About (4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone

(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone (PubChem CID 114642235) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is (4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone
PubChem CID114642235
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone
SMILESCOc1cnn(C(C)C)c1C(=O)c1cncn1C
InChIInChI=1S/C12H16N4O2/c1-8(2)16-11(10(18-4)6-14-16)12(17)9-5-13-7-15(9)3/h5-8H,1-4H3
InChIKeyYLCHZSFEQFHLTK-UHFFFAOYSA-N
XLogP1.44
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one
CID 103311596
2,2,3,3-tetrafluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one
CID 114032582
(2-iodophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 115810541
(2-amino-3-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 107469171
(2,3-dimethylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 115810444
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylsulfanylphenyl)methanone
CID 115810480
2,2-diethoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114641410
(2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 115810393
(2,4-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114639995
[1-(2-aminoethyl)triazol-4-yl]-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114669834
(3-chloro-4-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 115810617
(4-chloro-2-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640056

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone?
The IUPAC name of (4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone (CID 114642235) is (4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for (4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for (4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone is COc1cnn(C(C)C)c1C(=O)c1cncn1C.
What is the InChIKey of (4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone?
The InChIKey is YLCHZSFEQFHLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8(2)16-11(10(18-4)6-14-16)12(17)9-5-13-7-15(9)3/h5-8H,1-4H3.
What are the key properties of (4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone?
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone has a molecular weight of 248.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 114642235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).