N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine

C15H24BrN3 — CID 114660904

IUPACN-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1=CCCCC1)c1c(Br)cnn1C
InChIInChI=1S/C15H24BrN3/c1-3-9-17-14(10-12-7-5-4-6-8-12)15-13(16)11-18-19(15)2/h7,11,14,17H,3-6,8-10H2,1-2H3
InChIKeySASGHJWJTAIUCZ-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.11
Rot. Bonds6

About N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine

N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine (PubChem CID 114660904) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
PubChem CID114660904
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC NameN-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1=CCCCC1)c1c(Br)cnn1C
InChIInChI=1S/C15H24BrN3/c1-3-9-17-14(10-12-7-5-4-6-8-12)15-13(16)11-18-19(15)2/h7,11,14,17H,3-6,8-10H2,1-2H3
InChIKeySASGHJWJTAIUCZ-UHFFFAOYSA-N
XLogP4.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine
CID 114647947
N-[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 114660901
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 114647443
N-[2-(cyclohexen-1-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 116662180
N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 106654416
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxyethyl]propan-1-amine
CID 114655999
1-(4-bromo-1-methylpyrazol-5-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 105189818
[2-(cyclohexen-1-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 105270067
N-[2-(cyclohexen-1-yl)-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
CID 116662144
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(cyclohexen-1-yl)-N-propylpropan-2-amine
CID 116661958
3-[2-(cyclohexen-1-yl)-1-(propylamino)ethyl]pyridin-4-amine
CID 116662156
N-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]propan-1-amine
CID 116662001

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine (CID 114660904) is N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine is CCCNC(CC1=CCCCC1)c1c(Br)cnn1C.
What is the InChIKey of N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine?
The InChIKey is SASGHJWJTAIUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-3-9-17-14(10-12-7-5-4-6-8-12)15-13(16)11-18-19(15)2/h7,11,14,17H,3-6,8-10H2,1-2H3.
What are the key properties of N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine?
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 114660904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).