N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-(3-methylcyclopentyl)methanamine

C15H26BrN3 — CID 107412567

IUPACN-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-(3-methylcyclopentyl)methanamine
SMILESCCc1nn(CC)c(CNCC2CCC(C)C2)c1Br
InChIInChI=1S/C15H26BrN3/c1-4-13-15(16)14(19(5-2)18-13)10-17-9-12-7-6-11(3)8-12/h11-12,17H,4-10H2,1-3H3
InChIKeyAHUISHIVRVBDJD-UHFFFAOYSA-N
MW328.30 g/mol
LogP3.75
Rot. Bonds6

About N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-(3-methylcyclopentyl)methanamine

N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-(3-methylcyclopentyl)methanamine (PubChem CID 107412567) has the molecular formula C15H26BrN3 and a molecular weight of 328.30 g/mol. Its IUPAC name is N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-(3-methylcyclopentyl)methanamine.

Molecular Properties

Compound NameN-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-(3-methylcyclopentyl)methanamine
PubChem CID107412567
Molecular FormulaC15H26BrN3
Molecular Weight328.30 g/mol
Exact Mass327.13
IUPAC NameN-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-(3-methylcyclopentyl)methanamine
SMILESCCc1nn(CC)c(CNCC2CCC(C)C2)c1Br
InChIInChI=1S/C15H26BrN3/c1-4-13-15(16)14(19(5-2)18-13)10-17-9-12-7-6-11(3)8-12/h11-12,17H,4-10H2,1-3H3
InChIKeyAHUISHIVRVBDJD-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-(3-methylcyclopentyl)methanamine?
The IUPAC name of N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-(3-methylcyclopentyl)methanamine (CID 107412567) is N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-(3-methylcyclopentyl)methanamine.
What is the SMILES notation for N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-(3-methylcyclopentyl)methanamine?
The canonical SMILES for N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-(3-methylcyclopentyl)methanamine is CCc1nn(CC)c(CNCC2CCC(C)C2)c1Br.
What is the InChIKey of N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-(3-methylcyclopentyl)methanamine?
The InChIKey is AHUISHIVRVBDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3/c1-4-13-15(16)14(19(5-2)18-13)10-17-9-12-7-6-11(3)8-12/h11-12,17H,4-10H2,1-3H3.
What are the key properties of N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-(3-methylcyclopentyl)methanamine?
N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-(3-methylcyclopentyl)methanamine has a molecular weight of 328.30 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-(3-methylcyclopentyl)methanamine is sourced from PubChem (CID 107412567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).