(4-bromo-1-propylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone

C12H18BrN3O — CID 114669204

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCCCn1ncc(Br)c1C(=O)C1(C)CCNC1
InChIInChI=1S/C12H18BrN3O/c1-3-6-16-10(9(13)7-15-16)11(17)12(2)4-5-14-8-12/h7,14H,3-6,8H2,1-2H3
InChIKeyQLGDJKSQSJASLZ-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.24
Rot. Bonds4

About (4-bromo-1-propylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone

(4-bromo-1-propylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone (PubChem CID 114669204) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone
PubChem CID114669204
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCCCn1ncc(Br)c1C(=O)C1(C)CCNC1
InChIInChI=1S/C12H18BrN3O/c1-3-6-16-10(9(13)7-15-16)11(17)12(2)4-5-14-8-12/h7,14H,3-6,8H2,1-2H3
InChIKeyQLGDJKSQSJASLZ-UHFFFAOYSA-N
XLogP2.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-bromo-1-propylpyrazol-5-yl)-(3-methylpyrrolidin-3-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

(4-bromo-1-ethylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 114669209
(4-bromo-1-propylpyrazol-5-yl)-(4-propylpiperidin-4-yl)methanone
CID 114669166
(4-bromo-1-propylpyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone
CID 114669191
(4-chloro-1-propylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone
CID 114669182
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(1-methylcyclopentyl)methanone
CID 115804119
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methanone
CID 114641724
(3-ethylpyrrolidin-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114669216
(4-methoxy-1-propylpyrazol-5-yl)-(1-methylcyclohexyl)methanone
CID 106829733
(4-methylpiperidin-4-yl)-(3-propyltriazol-4-yl)methanone
CID 114691980
(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methanone
CID 105130493
1-(4-bromo-1-propylpyrazol-5-yl)-3-methylbut-2-en-1-one
CID 103455565
1-(4-bromo-1-propylpyrazol-5-yl)-2-(dimethylamino)ethanone
CID 114641322

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone (CID 114669204) is (4-bromo-1-propylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone is CCCn1ncc(Br)c1C(=O)C1(C)CCNC1.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone?
The InChIKey is QLGDJKSQSJASLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-3-6-16-10(9(13)7-15-16)11(17)12(2)4-5-14-8-12/h7,14H,3-6,8H2,1-2H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone?
(4-bromo-1-propylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone has a molecular weight of 300.20 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 114669204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).