N-[3-[5-(4-bromophenyl)triazol-1-yl]cyclopentyl]propanamide

C16H19BrN4O — CID 123522985

IUPACN-[3-[5-(4-bromophenyl)triazol-1-yl]cyclopentyl]propanamide
SMILESCCC(=O)NC1CCC(n2nncc2-c2ccc(Br)cc2)C1
InChIInChI=1S/C16H19BrN4O/c1-2-16(22)19-13-7-8-14(9-13)21-15(10-18-20-21)11-3-5-12(17)6-4-11/h3-6,10,13-14H,2,7-9H2,1H3,(H,19,22)
InChIKeyWMGXZTKEGWAUCI-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.33
Rot. Bonds4

About N-[3-[5-(4-bromophenyl)triazol-1-yl]cyclopentyl]propanamide

N-[3-[5-(4-bromophenyl)triazol-1-yl]cyclopentyl]propanamide (PubChem CID 123522985) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is N-[3-[5-(4-bromophenyl)triazol-1-yl]cyclopentyl]propanamide.

Molecular Properties

Compound NameN-[3-[5-(4-bromophenyl)triazol-1-yl]cyclopentyl]propanamide
PubChem CID123522985
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC NameN-[3-[5-(4-bromophenyl)triazol-1-yl]cyclopentyl]propanamide
SMILESCCC(=O)NC1CCC(n2nncc2-c2ccc(Br)cc2)C1
InChIInChI=1S/C16H19BrN4O/c1-2-16(22)19-13-7-8-14(9-13)21-15(10-18-20-21)11-3-5-12(17)6-4-11/h3-6,10,13-14H,2,7-9H2,1H3,(H,19,22)
InChIKeyWMGXZTKEGWAUCI-UHFFFAOYSA-N
XLogP3.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-bromophenyl)triazol-1-yl]cyclopentyl]propanamide?
The IUPAC name of N-[3-[5-(4-bromophenyl)triazol-1-yl]cyclopentyl]propanamide (CID 123522985) is N-[3-[5-(4-bromophenyl)triazol-1-yl]cyclopentyl]propanamide.
What is the SMILES notation for N-[3-[5-(4-bromophenyl)triazol-1-yl]cyclopentyl]propanamide?
The canonical SMILES for N-[3-[5-(4-bromophenyl)triazol-1-yl]cyclopentyl]propanamide is CCC(=O)NC1CCC(n2nncc2-c2ccc(Br)cc2)C1.
What is the InChIKey of N-[3-[5-(4-bromophenyl)triazol-1-yl]cyclopentyl]propanamide?
The InChIKey is WMGXZTKEGWAUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-2-16(22)19-13-7-8-14(9-13)21-15(10-18-20-21)11-3-5-12(17)6-4-11/h3-6,10,13-14H,2,7-9H2,1H3,(H,19,22).
What are the key properties of N-[3-[5-(4-bromophenyl)triazol-1-yl]cyclopentyl]propanamide?
N-[3-[5-(4-bromophenyl)triazol-1-yl]cyclopentyl]propanamide has a molecular weight of 363.26 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(4-bromophenyl)triazol-1-yl]cyclopentyl]propanamide is sourced from PubChem (CID 123522985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).