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

C15H27BrN4 — CID 114656935

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCn1ncc(Br)c1C(N)C(CC)(CC)N1CCCC1
InChIInChI=1S/C15H27BrN4/c1-4-15(5-2,19-9-7-8-10-19)14(17)13-12(16)11-18-20(13)6-3/h11,14H,4-10,17H2,1-3H3
InChIKeyDCCZRAMQYSTSLB-UHFFFAOYSA-N
MW343.31 g/mol
LogP3.32
Rot. Bonds6

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

1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 114656935) has the molecular formula C15H27BrN4 and a molecular weight of 343.31 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID114656935
Molecular FormulaC15H27BrN4
Molecular Weight343.31 g/mol
Exact Mass342.14
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCn1ncc(Br)c1C(N)C(CC)(CC)N1CCCC1
InChIInChI=1S/C15H27BrN4/c1-4-15(5-2,19-9-7-8-10-19)14(17)13-12(16)11-18-20(13)6-3/h11,14H,4-10,17H2,1-3H3
InChIKeyDCCZRAMQYSTSLB-UHFFFAOYSA-N
XLogP3.32
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 114656813
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-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-[amino-(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 114657041
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 114656815
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 114656654
(4-bromo-1-ethylpyrazol-5-yl)-(2-methylcyclopropyl)methanamine
CID 114655875
1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 114656867
1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine
CID 114657499
2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol
CID 114637716

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-amine (CID 114656935) is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-amine is CCn1ncc(Br)c1C(N)C(CC)(CC)N1CCCC1.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is DCCZRAMQYSTSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN4/c1-4-15(5-2,19-9-7-8-10-19)14(17)13-12(16)11-18-20(13)6-3/h11,14H,4-10,17H2,1-3H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-amine?
1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 343.31 g/mol, XLogP of 3.32, 6 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-ethyl-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 114656935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).