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

C16H28BrN3 — CID 114655691

IUPACN-[(4-bromo-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1c(Br)cnn1CCC)C1CCC(C)C1
InChIInChI=1S/C16H28BrN3/c1-4-8-18-15(13-7-6-12(3)10-13)16-14(17)11-19-20(16)9-5-2/h11-13,15,18H,4-10H2,1-3H3
InChIKeyLNCIRNXXFWMPHA-UHFFFAOYSA-N
MW342.33 g/mol
LogP4.53
Rot. Bonds7

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

N-[(4-bromo-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine (PubChem CID 114655691) has the molecular formula C16H28BrN3 and a molecular weight of 342.33 g/mol. Its IUPAC name is N-[(4-bromo-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
PubChem CID114655691
Molecular FormulaC16H28BrN3
Molecular Weight342.33 g/mol
Exact Mass341.15
IUPAC NameN-[(4-bromo-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1c(Br)cnn1CCC)C1CCC(C)C1
InChIInChI=1S/C16H28BrN3/c1-4-8-18-15(13-7-6-12(3)10-13)16-14(17)11-19-20(16)9-5-2/h11-13,15,18H,4-10H2,1-3H3
InChIKeyLNCIRNXXFWMPHA-UHFFFAOYSA-N
XLogP4.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 114655683
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 114655664
N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 114655689
N-[(4-bromo-1-propylpyrazol-5-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 105041559
N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 114649244
N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 114649242
N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethyl]propan-1-amine
CID 114661392
N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine
CID 114647831
N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105042952
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropyl-N-propylpropan-1-amine
CID 105043122
1-(4-bromo-1-propylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 114648750
[(4-bromo-1-propylpyrazol-5-yl)-(thiolan-3-yl)methyl]hydrazine
CID 105336726

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromo-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine (CID 114655691) is N-[(4-bromo-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromo-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromo-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine is CCCNC(c1c(Br)cnn1CCC)C1CCC(C)C1.
What is the InChIKey of N-[(4-bromo-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine?
The InChIKey is LNCIRNXXFWMPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BrN3/c1-4-8-18-15(13-7-6-12(3)10-13)16-14(17)11-19-20(16)9-5-2/h11-13,15,18H,4-10H2,1-3H3.
What are the key properties of N-[(4-bromo-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine?
N-[(4-bromo-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine has a molecular weight of 342.33 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 114655691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).