1-[1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-yl]piperidine

C15H25BrN4 — CID 107083333

IUPAC1-[1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-yl]piperidine
SMILESCc1nn(C)c(N2CCC(N3CCCCC3)C2)c1CBr
InChIInChI=1S/C15H25BrN4/c1-12-14(10-16)15(18(2)17-12)20-9-6-13(11-20)19-7-4-3-5-8-19/h13H,3-11H2,1-2H3
InChIKeyYGWFOXZBSWSALU-UHFFFAOYSA-N
MW341.30 g/mol
LogP2.69
Rot. Bonds3

About 1-[1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-yl]piperidine

1-[1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-yl]piperidine (PubChem CID 107083333) has the molecular formula C15H25BrN4 and a molecular weight of 341.30 g/mol. Its IUPAC name is 1-[1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-yl]piperidine.

Molecular Properties

Compound Name1-[1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-yl]piperidine
PubChem CID107083333
Molecular FormulaC15H25BrN4
Molecular Weight341.30 g/mol
Exact Mass340.13
IUPAC Name1-[1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-yl]piperidine
SMILESCc1nn(C)c(N2CCC(N3CCCCC3)C2)c1CBr
InChIInChI=1S/C15H25BrN4/c1-12-14(10-16)15(18(2)17-12)20-9-6-13(11-20)19-7-4-3-5-8-19/h13H,3-11H2,1-2H3
InChIKeyYGWFOXZBSWSALU-UHFFFAOYSA-N
XLogP2.69
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazole
CID 107080851
4-(bromomethyl)-1,3-dimethyl-5-(3-propylpyrrolidin-1-yl)pyrazole
CID 107085118
1,3-dimethyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazole-4-carboxylic acid
CID 63170699
[1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazol-4-yl]methanamine
CID 63171037
1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 79943900
4-(bromomethyl)-5-(3,3-dimethylazetidin-1-yl)-1,3-dimethylpyrazole
CID 130691382
2-[4-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]piperazin-1-yl]pyrimidine
CID 107079291
5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1,3-dimethylpyrazole-4-carboximidamide
CID 63752216
5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952249
N-[[1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 61226605
[1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazol-4-yl]methanamine
CID 43122238
1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazole-4-carbothioamide
CID 63757257

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-yl]piperidine?
The IUPAC name of 1-[1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-yl]piperidine (CID 107083333) is 1-[1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-yl]piperidine.
What is the SMILES notation for 1-[1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-yl]piperidine?
The canonical SMILES for 1-[1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-yl]piperidine is Cc1nn(C)c(N2CCC(N3CCCCC3)C2)c1CBr.
What is the InChIKey of 1-[1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-yl]piperidine?
The InChIKey is YGWFOXZBSWSALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4/c1-12-14(10-16)15(18(2)17-12)20-9-6-13(11-20)19-7-4-3-5-8-19/h13H,3-11H2,1-2H3.
What are the key properties of 1-[1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-yl]piperidine?
1-[1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-yl]piperidine has a molecular weight of 341.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-yl]piperidine is sourced from PubChem (CID 107083333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).