(5-bromofuran-2-yl)-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone

C14H15BrN4O2 — CID 124761305

IUPAC(5-bromofuran-2-yl)-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CC[C@@H](n2cc(C3CC3)nn2)C1
InChIInChI=1S/C14H15BrN4O2/c15-13-4-3-12(21-13)14(20)18-6-5-10(7-18)19-8-11(16-17-19)9-1-2-9/h3-4,8-10H,1-2,5-7H2/t10-/m1/s1
InChIKeyYEMOIDXWKHHTBL-SNVBAGLBSA-N
MW351.20 g/mol
LogP2.60
Rot. Bonds3

About (5-bromofuran-2-yl)-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone

(5-bromofuran-2-yl)-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone (PubChem CID 124761305) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
PubChem CID124761305
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Name(5-bromofuran-2-yl)-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CC[C@@H](n2cc(C3CC3)nn2)C1
InChIInChI=1S/C14H15BrN4O2/c15-13-4-3-12(21-13)14(20)18-6-5-10(7-18)19-8-11(16-17-19)9-1-2-9/h3-4,8-10H,1-2,5-7H2/t10-/m1/s1
InChIKeyYEMOIDXWKHHTBL-SNVBAGLBSA-N
XLogP2.60
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-bromofuran-2-yl)-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-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

(5-bromofuran-2-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150950
3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 146082322
2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]chromen-4-one
CID 121190459
(4-tert-butylphenyl)-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121190591
N-[4-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 124892607
(5-bromofuran-2-yl)-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 91914668
(2-bromo-5-methoxyphenyl)-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121190470
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 121190579
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2,4-dichlorophenyl)methanone
CID 121190560
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 121190542
4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 121190686
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 121190416

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone (CID 124761305) is (5-bromofuran-2-yl)-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone is O=C(c1ccc(Br)o1)N1CC[C@@H](n2cc(C3CC3)nn2)C1.
What is the InChIKey of (5-bromofuran-2-yl)-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone?
The InChIKey is YEMOIDXWKHHTBL-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15BrN4O2/c15-13-4-3-12(21-13)14(20)18-6-5-10(7-18)19-8-11(16-17-19)9-1-2-9/h3-4,8-10H,1-2,5-7H2/t10-/m1/s1.
What are the key properties of (5-bromofuran-2-yl)-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone?
(5-bromofuran-2-yl)-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone has a molecular weight of 351.20 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124761305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).