N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine

C15H26BrN3 — CID 114655683

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1c(Br)cnn1CC)C1CCC(C)C1
InChIInChI=1S/C15H26BrN3/c1-4-8-17-14(12-7-6-11(3)9-12)15-13(16)10-18-19(15)5-2/h10-12,14,17H,4-9H2,1-3H3
InChIKeyGENWOTQIYFAGCZ-UHFFFAOYSA-N
MW328.30 g/mol
LogP4.14
Rot. Bonds6

About N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine

N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine (PubChem CID 114655683) has the molecular formula C15H26BrN3 and a molecular weight of 328.30 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
PubChem CID114655683
Molecular FormulaC15H26BrN3
Molecular Weight328.30 g/mol
Exact Mass327.13
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1c(Br)cnn1CC)C1CCC(C)C1
InChIInChI=1S/C15H26BrN3/c1-4-8-17-14(12-7-6-11(3)9-12)15-13(16)10-18-19(15)5-2/h10-12,14,17H,4-9H2,1-3H3
InChIKeyGENWOTQIYFAGCZ-UHFFFAOYSA-N
XLogP4.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 54.14
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
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 114655664
N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 114649244
N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 114655689
N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 114655546
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methyl]propan-1-amine
CID 107190949
N-[(4-bromo-1-propylpyrazol-5-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 105041559
1-(4-bromo-1-ethylpyrazol-5-yl)-1-cyclopentyl-N-methylmethanamine
CID 114648216
N-[(4-chloro-1-ethylpyrazol-5-yl)-cyclobutylmethyl]propan-1-amine
CID 114653224
N-[1-(4-bromo-1-ethylpyrazol-5-yl)-2,2-difluoroethyl]propan-1-amine
CID 103517116
N-[(4-bromo-1-ethylpyrazol-5-yl)-(oxolan-3-yl)methyl]ethanamine
CID 114654743
N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethyl]propan-1-amine
CID 114661392

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine (CID 114655683) is N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine is CCCNC(c1c(Br)cnn1CC)C1CCC(C)C1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine?
The InChIKey is GENWOTQIYFAGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3/c1-4-8-17-14(12-7-6-11(3)9-12)15-13(16)10-18-19(15)5-2/h10-12,14,17H,4-9H2,1-3H3.
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine?
N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine has a molecular weight of 328.30 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 114655683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).