2-(4-bromo-1-methylpyrazol-5-yl)-1-(propan-2-ylamino)propan-2-ol

C10H18BrN3O — CID 114666077

IUPAC2-(4-bromo-1-methylpyrazol-5-yl)-1-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)c1c(Br)cnn1C
InChIInChI=1S/C10H18BrN3O/c1-7(2)12-6-10(3,15)9-8(11)5-13-14(9)4/h5,7,12,15H,6H2,1-4H3
InChIKeyAEIMNPQVAIPRJB-UHFFFAOYSA-N
MW276.18 g/mol
LogP1.39
Rot. Bonds4

About 2-(4-bromo-1-methylpyrazol-5-yl)-1-(propan-2-ylamino)propan-2-ol

2-(4-bromo-1-methylpyrazol-5-yl)-1-(propan-2-ylamino)propan-2-ol (PubChem CID 114666077) has the molecular formula C10H18BrN3O and a molecular weight of 276.18 g/mol. Its IUPAC name is 2-(4-bromo-1-methylpyrazol-5-yl)-1-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-1-methylpyrazol-5-yl)-1-(propan-2-ylamino)propan-2-ol
PubChem CID114666077
Molecular FormulaC10H18BrN3O
Molecular Weight276.18 g/mol
Exact Mass275.06
IUPAC Name2-(4-bromo-1-methylpyrazol-5-yl)-1-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)c1c(Br)cnn1C
InChIInChI=1S/C10H18BrN3O/c1-7(2)12-6-10(3,15)9-8(11)5-13-14(9)4/h5,7,12,15H,6H2,1-4H3
InChIKeyAEIMNPQVAIPRJB-UHFFFAOYSA-N
XLogP1.39
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 51.39
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-methylpyrazol-5-yl)-4-(methylamino)butan-2-ol
CID 114665935
2-(3-methyltriazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
CID 114691275
2-(4-bromo-1-methylpyrazol-5-yl)hex-5-en-2-ol
CID 114638271
2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
CID 66039398
2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666040
2-(4-bromo-1-propylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666047
2-(4-bromo-1-methylpyrazol-5-yl)-1-(3,4-dimethoxyphenyl)propan-2-ol
CID 114635965
1-(tert-butylamino)-2-(4-chloro-1-methylpyrazol-5-yl)propan-2-ol
CID 114666103
2-(4-bromo-1-ethylpyrazol-5-yl)-1-(propylamino)propan-2-ol
CID 114666064
2-(4-chloro-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666046
2-(4-bromo-1-methylpyrazol-5-yl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 114667850

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-methylpyrazol-5-yl)-1-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 2-(4-bromo-1-methylpyrazol-5-yl)-1-(propan-2-ylamino)propan-2-ol (CID 114666077) is 2-(4-bromo-1-methylpyrazol-5-yl)-1-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 2-(4-bromo-1-methylpyrazol-5-yl)-1-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 2-(4-bromo-1-methylpyrazol-5-yl)-1-(propan-2-ylamino)propan-2-ol is CC(C)NCC(C)(O)c1c(Br)cnn1C.
What is the InChIKey of 2-(4-bromo-1-methylpyrazol-5-yl)-1-(propan-2-ylamino)propan-2-ol?
The InChIKey is AEIMNPQVAIPRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3O/c1-7(2)12-6-10(3,15)9-8(11)5-13-14(9)4/h5,7,12,15H,6H2,1-4H3.
What are the key properties of 2-(4-bromo-1-methylpyrazol-5-yl)-1-(propan-2-ylamino)propan-2-ol?
2-(4-bromo-1-methylpyrazol-5-yl)-1-(propan-2-ylamino)propan-2-ol has a molecular weight of 276.18 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-methylpyrazol-5-yl)-1-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 114666077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).