1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylimidazol-2-one

C12H18N4O — CID 103015554

IUPAC1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CCc2ccnn2C)c1=O
InChIInChI=1S/C12H18N4O/c1-3-7-15-9-10-16(12(15)17)8-5-11-4-6-13-14(11)2/h4,6,9-10H,3,5,7-8H2,1-2H3
InChIKeyQONORYNRRYAKEB-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.04
Rot. Bonds5

About 1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylimidazol-2-one

1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylimidazol-2-one (PubChem CID 103015554) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylimidazol-2-one
PubChem CID103015554
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CCc2ccnn2C)c1=O
InChIInChI=1S/C12H18N4O/c1-3-7-15-9-10-16(12(15)17)8-5-11-4-6-13-14(11)2/h4,6,9-10H,3,5,7-8H2,1-2H3
InChIKeyQONORYNRRYAKEB-UHFFFAOYSA-N
XLogP1.04
TPSA44.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-one
CID 103015543
4-(2-methylpyrazol-3-yl)butanal
CID 103014880
3-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 107104005
11-(2-methylpyrazol-3-yl)undecanoic acid
CID 10778184
1-bromo-7-(2-methylpyrazol-3-yl)heptan-4-one
CID 106798885
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-2-yl]propan-2-amine
CID 103015071
1-(2-methylpyrazol-3-yl)-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 63302358
5-bromo-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrole-3-carboxylic acid
CID 103003681
8-(2-methylpyrazol-3-yl)octan-4-ol
CID 103016003
6-[2-(2-methylpyrazol-3-yl)ethylamino]hexan-1-ol
CID 107703692
N-butyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine
CID 106582984
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 103007206

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylimidazol-2-one (CID 103015554) is 1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylimidazol-2-one is CCCn1ccn(CCc2ccnn2C)c1=O.
What is the InChIKey of 1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylimidazol-2-one?
The InChIKey is QONORYNRRYAKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-3-7-15-9-10-16(12(15)17)8-5-11-4-6-13-14(11)2/h4,6,9-10H,3,5,7-8H2,1-2H3.
What are the key properties of 1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylimidazol-2-one?
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylimidazol-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylimidazol-2-one is sourced from PubChem (CID 103015554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).