4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol

C14H26BrN3O — CID 64809604

IUPAC4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCc1nn(C(C)CC(C)(CO)NC(C)C)c(C)c1Br
InChIInChI=1S/C14H26BrN3O/c1-9(2)16-14(6,8-19)7-10(3)18-12(5)13(15)11(4)17-18/h9-10,16,19H,7-8H2,1-6H3
InChIKeyOOSXMZOQFUTGFM-UHFFFAOYSA-N
MW332.29 g/mol
LogP2.96
Rot. Bonds6

About 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol

4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 64809604) has the molecular formula C14H26BrN3O and a molecular weight of 332.29 g/mol. Its IUPAC name is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID64809604
Molecular FormulaC14H26BrN3O
Molecular Weight332.29 g/mol
Exact Mass331.13
IUPAC Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCc1nn(C(C)CC(C)(CO)NC(C)C)c(C)c1Br
InChIInChI=1S/C14H26BrN3O/c1-9(2)16-14(6,8-19)7-10(3)18-12(5)13(15)11(4)17-18/h9-10,16,19H,7-8H2,1-6H3
InChIKeyOOSXMZOQFUTGFM-UHFFFAOYSA-N
XLogP2.96
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol (CID 64809604) is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol is Cc1nn(C(C)CC(C)(CO)NC(C)C)c(C)c1Br.
What is the InChIKey of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is OOSXMZOQFUTGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrN3O/c1-9(2)16-14(6,8-19)7-10(3)18-12(5)13(15)11(4)17-18/h9-10,16,19H,7-8H2,1-6H3.
What are the key properties of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 332.29 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 64809604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).