1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-amine

C10H18BrN3 — CID 114648705

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-amine
SMILESCC(C)CCC(N)c1c(Br)cnn1C
InChIInChI=1S/C10H18BrN3/c1-7(2)4-5-9(12)10-8(11)6-13-14(10)3/h6-7,9H,4-5,12H2,1-3H3
InChIKeyRYDBKHUNHGYNKM-UHFFFAOYSA-N
MW260.18 g/mol
LogP2.62
Rot. Bonds4

About 1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-amine

1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-amine (PubChem CID 114648705) has the molecular formula C10H18BrN3 and a molecular weight of 260.18 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-amine
PubChem CID114648705
Molecular FormulaC10H18BrN3
Molecular Weight260.18 g/mol
Exact Mass259.07
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-amine
SMILESCC(C)CCC(N)c1c(Br)cnn1C
InChIInChI=1S/C10H18BrN3/c1-7(2)4-5-9(12)10-8(11)6-13-14(10)3/h6-7,9H,4-5,12H2,1-3H3
InChIKeyRYDBKHUNHGYNKM-UHFFFAOYSA-N
XLogP2.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxypentan-1-amine
CID 105189862
1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114659465
(3R)-3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide
CID 130586349
3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide
CID 130586350
1-(4-bromo-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148168
1-(4-bromo-1-methylpyrazol-5-yl)-3-(3-methylphenyl)propan-1-amine
CID 105189904
1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine
CID 105054241
1-(4-bromo-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216484
1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-bromophenyl)sulfanylethanamine
CID 114656014
(4-bromo-1-methylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanamine
CID 105054014
4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol
CID 114665060
1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoropropan-1-amine
CID 130605081

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-amine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-amine (CID 114648705) is 1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-amine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-amine is CC(C)CCC(N)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-amine?
The InChIKey is RYDBKHUNHGYNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3/c1-7(2)4-5-9(12)10-8(11)6-13-14(10)3/h6-7,9H,4-5,12H2,1-3H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-amine?
1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-amine has a molecular weight of 260.18 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-amine is sourced from PubChem (CID 114648705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).