(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine

C13H22BrN3 — CID 105042004

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine
SMILESCC(C)n1ncc(Br)c1C(N)C1(C)CCCC1
InChIInChI=1S/C13H22BrN3/c1-9(2)17-11(10(14)8-16-17)12(15)13(3)6-4-5-7-13/h8-9,12H,4-7,15H2,1-3H3
InChIKeyUBYFIDKZNUWDTF-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.81
Rot. Bonds3

About (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine (PubChem CID 105042004) has the molecular formula C13H22BrN3 and a molecular weight of 300.24 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine
PubChem CID105042004
Molecular FormulaC13H22BrN3
Molecular Weight300.24 g/mol
Exact Mass299.10
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine
SMILESCC(C)n1ncc(Br)c1C(N)C1(C)CCCC1
InChIInChI=1S/C13H22BrN3/c1-9(2)17-11(10(14)8-16-17)12(15)13(3)6-4-5-7-13/h8-9,12H,4-7,15H2,1-3H3
InChIKeyUBYFIDKZNUWDTF-UHFFFAOYSA-N
XLogP3.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methoxycyclohexyl)methanamine
CID 114661786
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191008
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopropyl)methanamine
CID 114658533
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106830600
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,3-dimethylbutan-1-amine
CID 105042339
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanamine
CID 105042259
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanol
CID 114645787
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]hydrazine
CID 105336781
6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
CID 115835341
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276226
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-propan-2-ylsulfanylethanamine
CID 114653629
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanone
CID 115805221

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine (CID 105042004) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine is CC(C)n1ncc(Br)c1C(N)C1(C)CCCC1.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine?
The InChIKey is UBYFIDKZNUWDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3/c1-9(2)17-11(10(14)8-16-17)12(15)13(3)6-4-5-7-13/h8-9,12H,4-7,15H2,1-3H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine has a molecular weight of 300.24 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine is sourced from PubChem (CID 105042004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).