1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine

C14H24BrN3 — CID 114655664

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine
SMILESCCCn1ncc(Br)c1C(NC)C1CCC(C)C1
InChIInChI=1S/C14H24BrN3/c1-4-7-18-14(12(15)9-17-18)13(16-3)11-6-5-10(2)8-11/h9-11,13,16H,4-8H2,1-3H3
InChIKeyCPPNDODVMLGOIU-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.75
Rot. Bonds5

About 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine

1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine (PubChem CID 114655664) has the molecular formula C14H24BrN3 and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine
PubChem CID114655664
Molecular FormulaC14H24BrN3
Molecular Weight314.27 g/mol
Exact Mass313.12
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine
SMILESCCCn1ncc(Br)c1C(NC)C1CCC(C)C1
InChIInChI=1S/C14H24BrN3/c1-4-7-18-14(12(15)9-17-18)13(16-3)11-6-5-10(2)8-11/h9-11,13,16H,4-8H2,1-3H3
InChIKeyCPPNDODVMLGOIU-UHFFFAOYSA-N
XLogP3.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 114655691
N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 114655683
1-cyclopropyl-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114647967
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-cyclopentyl-N-methylmethanamine
CID 114648229
1-(4-bromo-1-ethylpyrazol-5-yl)-1-cyclopentyl-N-methylmethanamine
CID 114648216
N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 114655689
[(4-bromo-1-propylpyrazol-5-yl)-(thiolan-3-yl)methyl]hydrazine
CID 105336726
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-ethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 114659583
N-[(4-bromo-1-propylpyrazol-5-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 105041559
1-(4-bromo-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
CID 114651699
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 114649211
[(4-bromo-1-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105336709

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine (CID 114655664) is 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine is CCCn1ncc(Br)c1C(NC)C1CCC(C)C1.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine?
The InChIKey is CPPNDODVMLGOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3/c1-4-7-18-14(12(15)9-17-18)13(16-3)11-6-5-10(2)8-11/h9-11,13,16H,4-8H2,1-3H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine?
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine has a molecular weight of 314.27 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine is sourced from PubChem (CID 114655664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).