4-(4-bromo-1-propylpyrazol-5-yl)pentan-2-amine

C11H20BrN3 — CID 114664574

IUPAC4-(4-bromo-1-propylpyrazol-5-yl)pentan-2-amine
SMILESCCCn1ncc(Br)c1C(C)CC(C)N
InChIInChI=1S/C11H20BrN3/c1-4-5-15-11(10(12)7-14-15)8(2)6-9(3)13/h7-9H,4-6,13H2,1-3H3
InChIKeyLIMPNIPFIOHFDM-UHFFFAOYSA-N
MW274.21 g/mol
LogP2.90
Rot. Bonds5

About 4-(4-bromo-1-propylpyrazol-5-yl)pentan-2-amine

4-(4-bromo-1-propylpyrazol-5-yl)pentan-2-amine (PubChem CID 114664574) has the molecular formula C11H20BrN3 and a molecular weight of 274.21 g/mol. Its IUPAC name is 4-(4-bromo-1-propylpyrazol-5-yl)pentan-2-amine.

Molecular Properties

Compound Name4-(4-bromo-1-propylpyrazol-5-yl)pentan-2-amine
PubChem CID114664574
Molecular FormulaC11H20BrN3
Molecular Weight274.21 g/mol
Exact Mass273.08
IUPAC Name4-(4-bromo-1-propylpyrazol-5-yl)pentan-2-amine
SMILESCCCn1ncc(Br)c1C(C)CC(C)N
InChIInChI=1S/C11H20BrN3/c1-4-5-15-11(10(12)7-14-15)8(2)6-9(3)13/h7-9H,4-6,13H2,1-3H3
InChIKeyLIMPNIPFIOHFDM-UHFFFAOYSA-N
XLogP2.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-5-(4-chloropentan-2-yl)-1-propylpyrazole
CID 114665550
[1-(4-bromo-1-propylpyrazol-5-yl)-2-methylpropyl]hydrazine
CID 105199703
N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine
CID 114647831
3-(4-bromo-1-propylpyrazol-5-yl)-3-fluoropropan-1-amine
CID 114667939
(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 107969104
1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635613
1-(4-bromo-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
CID 114651699
(4-bromo-2,6-difluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine
CID 105041548
1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol
CID 114635714
(1S)-1-(4-bromo-1-propylpyrazol-5-yl)-2,2,2-trifluoroethanol
CID 104940519
[1-(4-bromo-1-propylpyrazol-5-yl)-2-propan-2-yloxyethyl]hydrazine
CID 105336566
(4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine
CID 105041471

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1-propylpyrazol-5-yl)pentan-2-amine?
The IUPAC name of 4-(4-bromo-1-propylpyrazol-5-yl)pentan-2-amine (CID 114664574) is 4-(4-bromo-1-propylpyrazol-5-yl)pentan-2-amine.
What is the SMILES notation for 4-(4-bromo-1-propylpyrazol-5-yl)pentan-2-amine?
The canonical SMILES for 4-(4-bromo-1-propylpyrazol-5-yl)pentan-2-amine is CCCn1ncc(Br)c1C(C)CC(C)N.
What is the InChIKey of 4-(4-bromo-1-propylpyrazol-5-yl)pentan-2-amine?
The InChIKey is LIMPNIPFIOHFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3/c1-4-5-15-11(10(12)7-14-15)8(2)6-9(3)13/h7-9H,4-6,13H2,1-3H3.
What are the key properties of 4-(4-bromo-1-propylpyrazol-5-yl)pentan-2-amine?
4-(4-bromo-1-propylpyrazol-5-yl)pentan-2-amine has a molecular weight of 274.21 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-1-propylpyrazol-5-yl)pentan-2-amine is sourced from PubChem (CID 114664574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).