1-[1-[1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one

C16H18BrN5O3 — CID 126948544

IUPAC1-[1-[1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2cnn(C3CCN(C(=O)c4ccc(Br)o4)C3)c2)C1=O
InChIInChI=1S/C16H18BrN5O3/c1-19-6-7-21(16(19)24)12-8-18-22(10-12)11-4-5-20(9-11)15(23)13-2-3-14(17)25-13/h2-3,8,10-11H,4-7,9H2,1H3
InChIKeyYPXMRNMQYMLNNU-UHFFFAOYSA-N
MW408.26 g/mol
LogP2.20
Rot. Bonds3

About 1-[1-[1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one

1-[1-[1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one (PubChem CID 126948544) has the molecular formula C16H18BrN5O3 and a molecular weight of 408.26 g/mol. Its IUPAC name is 1-[1-[1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
PubChem CID126948544
Molecular FormulaC16H18BrN5O3
Molecular Weight408.26 g/mol
Exact Mass407.06
IUPAC Name1-[1-[1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2cnn(C3CCN(C(=O)c4ccc(Br)o4)C3)c2)C1=O
InChIInChI=1S/C16H18BrN5O3/c1-19-6-7-21(16(19)24)12-8-18-22(10-12)11-4-5-20(9-11)15(23)13-2-3-14(17)25-13/h2-3,8,10-11H,4-7,9H2,1H3
InChIKeyYPXMRNMQYMLNNU-UHFFFAOYSA-N
XLogP2.20
TPSA74.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948579
1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126946284
(5-bromofuran-2-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150950
1-[1-[1-[2-(1,2-benzoxazol-3-yl)acetyl]pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948571
(5-bromofuran-2-yl)-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 124761305
1-methyl-3-[1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946004
1-[1-[1-[6-(dimethylamino)pyridazine-3-carbonyl]azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126946005
1-[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126945960
1-methyl-3-[1-[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945995
1-methyl-3-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946277
1-methyl-3-[1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948649
2-(5-bromofuran-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862946

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[1-[1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one (CID 126948544) is 1-[1-[1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[1-[1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[1-[1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one is CN1CCN(c2cnn(C3CCN(C(=O)c4ccc(Br)o4)C3)c2)C1=O.
What is the InChIKey of 1-[1-[1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one?
The InChIKey is YPXMRNMQYMLNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN5O3/c1-19-6-7-21(16(19)24)12-8-18-22(10-12)11-4-5-20(9-11)15(23)13-2-3-14(17)25-13/h2-3,8,10-11H,4-7,9H2,1H3.
What are the key properties of 1-[1-[1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one?
1-[1-[1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one has a molecular weight of 408.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 126948544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).