[2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol

C15H26BrN3O — CID 79571749

IUPAC[2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol
SMILESCCNC1(CO)CCCC1CCn1nc(C)c(Br)c1C
InChIInChI=1S/C15H26BrN3O/c1-4-17-15(10-20)8-5-6-13(15)7-9-19-12(3)14(16)11(2)18-19/h13,17,20H,4-10H2,1-3H3
InChIKeyZNNFAUSIHICKBE-UHFFFAOYSA-N
MW344.30 g/mol
LogP2.79
Rot. Bonds6

About [2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol

[2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol (PubChem CID 79571749) has the molecular formula C15H26BrN3O and a molecular weight of 344.30 g/mol. Its IUPAC name is [2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol
PubChem CID79571749
Molecular FormulaC15H26BrN3O
Molecular Weight344.30 g/mol
Exact Mass343.13
IUPAC Name[2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol
SMILESCCNC1(CO)CCCC1CCn1nc(C)c(Br)c1C
InChIInChI=1S/C15H26BrN3O/c1-4-17-15(10-20)8-5-6-13(15)7-9-19-12(3)14(16)11(2)18-19/h13,17,20H,4-10H2,1-3H3
InChIKeyZNNFAUSIHICKBE-UHFFFAOYSA-N
XLogP2.79
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(1,3,5-Trimethylpyrazol-4-yl)methylamino]cyclopentyl]methanol
CID 62522740
6-(4-Bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)hexan-1-ol
CID 64808973
4-(4-Bromo-3,5-dimethylpyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentan-1-ol
CID 64808974
3-(4-Bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propan-1-ol
CID 64808975
4-(4-Bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 64809394
5-(4-Bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64809602
5-(4-Bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 64809603
4-(4-Bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64809604
3-(4-Bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(propylamino)propan-1-ol
CID 64809812
3-(4-Bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol
CID 64809813
2-Amino-6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylhexan-1-ol
CID 64810026
4-(4-Bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64810233

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol (CID 79571749) is [2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol is CCNC1(CO)CCCC1CCn1nc(C)c(Br)c1C.
What is the InChIKey of [2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol?
The InChIKey is ZNNFAUSIHICKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3O/c1-4-17-15(10-20)8-5-6-13(15)7-9-19-12(3)14(16)11(2)18-19/h13,17,20H,4-10H2,1-3H3.
What are the key properties of [2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol?
[2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol has a molecular weight of 344.30 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol is sourced from PubChem (CID 79571749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).