1-(1H-imidazol-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one

C10H12N4O — CID 103007743

IUPAC1-(1H-imidazol-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCn1cc(CCC(=O)c2ncc[nH]2)cn1
InChIInChI=1S/C10H12N4O/c1-14-7-8(6-13-14)2-3-9(15)10-11-4-5-12-10/h4-7H,2-3H2,1H3,(H,11,12)
InChIKeyXALLSRYDTMQUET-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.96
Rot. Bonds4

About 1-(1H-imidazol-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one

1-(1H-imidazol-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one (PubChem CID 103007743) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
PubChem CID103007743
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name1-(1H-imidazol-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCn1cc(CCC(=O)c2ncc[nH]2)cn1
InChIInChI=1S/C10H12N4O/c1-14-7-8(6-13-14)2-3-9(15)10-11-4-5-12-10/h4-7H,2-3H2,1H3,(H,11,12)
InChIKeyXALLSRYDTMQUET-UHFFFAOYSA-N
XLogP0.96
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024078
3-(1-methylpyrazol-4-yl)-1-pyridin-3-ylpropan-1-one
CID 103007248
4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204
1-(5-methylfuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024085
1-(2,6-difluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024061
1-(3,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007783
1-(1H-imidazol-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011534
1-(5-chlorofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 106691371
5,5-dimethyl-1-(1-methylpyrazol-4-yl)hexan-3-one
CID 103007465
1-(1-methylpyrazol-4-yl)-5-pyridin-2-ylpentan-3-one
CID 103023920
1-(2,5-dichlorothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 107967873
1,1,1-trifluoro-5-(1-methylpyrazol-4-yl)pentan-3-one
CID 103007322

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(1H-imidazol-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one (CID 103007743) is 1-(1H-imidazol-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(1H-imidazol-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one is Cn1cc(CCC(=O)c2ncc[nH]2)cn1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one?
The InChIKey is XALLSRYDTMQUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-14-7-8(6-13-14)2-3-9(15)10-11-4-5-12-10/h4-7H,2-3H2,1H3,(H,11,12).
What are the key properties of 1-(1H-imidazol-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one?
1-(1H-imidazol-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one has a molecular weight of 204.23 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 103007743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).