1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine

C14H25BrN4 — CID 114656813

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCn1ncc(Br)c1C(N)C(C)(CC)N1CCCC1
InChIInChI=1S/C14H25BrN4/c1-4-14(3,18-8-6-7-9-18)13(16)12-11(15)10-17-19(12)5-2/h10,13H,4-9,16H2,1-3H3
InChIKeyWRGHQEKOGYXGDJ-UHFFFAOYSA-N
MW329.29 g/mol
LogP2.93
Rot. Bonds5

About 1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine

1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 114656813) has the molecular formula C14H25BrN4 and a molecular weight of 329.29 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID114656813
Molecular FormulaC14H25BrN4
Molecular Weight329.29 g/mol
Exact Mass328.13
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCn1ncc(Br)c1C(N)C(C)(CC)N1CCCC1
InChIInChI=1S/C14H25BrN4/c1-4-14(3,18-8-6-7-9-18)13(16)12-11(15)10-17-19(12)5-2/h10,13H,4-9,16H2,1-3H3
InChIKeyWRGHQEKOGYXGDJ-UHFFFAOYSA-N
XLogP2.93
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 114656935
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 114656815
1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 114656867
1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-methylbutan-1-amine
CID 114661598
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656621
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 114644453
1-(4-bromo-1-ethylpyrazol-5-yl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine
CID 114656870
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 114656862
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656613
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 114656663
1-(5-bromo-3-methyltriazol-4-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 106462639
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 114656654

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine (CID 114656813) is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine is CCn1ncc(Br)c1C(N)C(C)(CC)N1CCCC1.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is WRGHQEKOGYXGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN4/c1-4-14(3,18-8-6-7-9-18)13(16)12-11(15)10-17-19(12)5-2/h10,13H,4-9,16H2,1-3H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine?
1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 329.29 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 114656813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).