2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(ethylamino)propan-2-ol

C11H20BrN3O — CID 114666040

IUPAC2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
SMILESCCNCC(C)(O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C11H20BrN3O/c1-5-13-7-11(4,16)10-9(12)6-14-15(10)8(2)3/h6,8,13,16H,5,7H2,1-4H3
InChIKeyRVPIKDLZTZDHGT-UHFFFAOYSA-N
MW290.21 g/mol
LogP2.04
Rot. Bonds5

About 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(ethylamino)propan-2-ol

2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(ethylamino)propan-2-ol (PubChem CID 114666040) has the molecular formula C11H20BrN3O and a molecular weight of 290.21 g/mol. Its IUPAC name is 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
PubChem CID114666040
Molecular FormulaC11H20BrN3O
Molecular Weight290.21 g/mol
Exact Mass289.08
IUPAC Name2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
SMILESCCNCC(C)(O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C11H20BrN3O/c1-5-13-7-11(4,16)10-9(12)6-14-15(10)8(2)3/h6,8,13,16H,5,7H2,1-4H3
InChIKeyRVPIKDLZTZDHGT-UHFFFAOYSA-N
XLogP2.04
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666048
2-(4-bromo-1-propan-2-ylpyrazol-5-yl)heptan-2-ol
CID 114637132
2-(4-bromo-1-propylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666047
2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentan-2-ol
CID 114633735
4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,6-dimethylheptan-4-ol
CID 114865658
2-(4-bromo-1-ethylpyrazol-5-yl)-1-(propylamino)propan-2-ol
CID 114666064
2-(4-bromo-1-methylpyrazol-5-yl)-1-(propan-2-ylamino)propan-2-ol
CID 114666077
2-(4-chloro-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666046
2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-phenylbutan-2-ol
CID 114636350
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(3,5-difluorophenyl)ethanol
CID 114637010
1-(ethylamino)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 66040082
2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-2-ol
CID 114637115

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(ethylamino)propan-2-ol?
The IUPAC name of 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(ethylamino)propan-2-ol (CID 114666040) is 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(ethylamino)propan-2-ol.
What is the SMILES notation for 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(ethylamino)propan-2-ol?
The canonical SMILES for 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(ethylamino)propan-2-ol is CCNCC(C)(O)c1c(Br)cnn1C(C)C.
What is the InChIKey of 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(ethylamino)propan-2-ol?
The InChIKey is RVPIKDLZTZDHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3O/c1-5-13-7-11(4,16)10-9(12)6-14-15(10)8(2)3/h6,8,13,16H,5,7H2,1-4H3.
What are the key properties of 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(ethylamino)propan-2-ol?
2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(ethylamino)propan-2-ol has a molecular weight of 290.21 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(ethylamino)propan-2-ol is sourced from PubChem (CID 114666040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).