2-(4-bromo-1-methylpyrazol-5-yl)-4-(methylamino)butan-2-ol

C9H16BrN3O — CID 114665935

IUPAC2-(4-bromo-1-methylpyrazol-5-yl)-4-(methylamino)butan-2-ol
SMILESCNCCC(C)(O)c1c(Br)cnn1C
InChIInChI=1S/C9H16BrN3O/c1-9(14,4-5-11-2)8-7(10)6-12-13(8)3/h6,11,14H,4-5H2,1-3H3
InChIKeyNZPOJBVVWVZPJH-UHFFFAOYSA-N
MW262.15 g/mol
LogP1.00
Rot. Bonds4

About 2-(4-bromo-1-methylpyrazol-5-yl)-4-(methylamino)butan-2-ol

2-(4-bromo-1-methylpyrazol-5-yl)-4-(methylamino)butan-2-ol (PubChem CID 114665935) has the molecular formula C9H16BrN3O and a molecular weight of 262.15 g/mol. Its IUPAC name is 2-(4-bromo-1-methylpyrazol-5-yl)-4-(methylamino)butan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-1-methylpyrazol-5-yl)-4-(methylamino)butan-2-ol
PubChem CID114665935
Molecular FormulaC9H16BrN3O
Molecular Weight262.15 g/mol
Exact Mass261.05
IUPAC Name2-(4-bromo-1-methylpyrazol-5-yl)-4-(methylamino)butan-2-ol
SMILESCNCCC(C)(O)c1c(Br)cnn1C
InChIInChI=1S/C9H16BrN3O/c1-9(14,4-5-11-2)8-7(10)6-12-13(8)3/h6,11,14H,4-5H2,1-3H3
InChIKeyNZPOJBVVWVZPJH-UHFFFAOYSA-N
XLogP1.00
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-1-methylpyrazol-5-yl)hex-5-en-2-ol
CID 114638271
2-(4-bromo-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666048
2-(4-bromo-1-methylpyrazol-5-yl)-1-(propan-2-ylamino)propan-2-ol
CID 114666077
3-(4-bromo-1-ethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine
CID 114666999
2-(5-tert-butyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 83831083
2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4-(propylamino)butan-2-ol
CID 114665958
2-(4-bromo-1-methylpyrazol-5-yl)-1-(3,4-dimethoxyphenyl)propan-2-ol
CID 114635965
2-(4-bromothiophen-3-yl)-4-(methylamino)butan-2-ol
CID 79602621
2-(4-bromo-1-ethylpyrazol-5-yl)-1-(propylamino)propan-2-ol
CID 114666064
2-(4-bromo-1-methylpyrazol-5-yl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 114667850
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-methylpyrazol-5-yl)-4-(methylamino)butan-2-ol?
The IUPAC name of 2-(4-bromo-1-methylpyrazol-5-yl)-4-(methylamino)butan-2-ol (CID 114665935) is 2-(4-bromo-1-methylpyrazol-5-yl)-4-(methylamino)butan-2-ol.
What is the SMILES notation for 2-(4-bromo-1-methylpyrazol-5-yl)-4-(methylamino)butan-2-ol?
The canonical SMILES for 2-(4-bromo-1-methylpyrazol-5-yl)-4-(methylamino)butan-2-ol is CNCCC(C)(O)c1c(Br)cnn1C.
What is the InChIKey of 2-(4-bromo-1-methylpyrazol-5-yl)-4-(methylamino)butan-2-ol?
The InChIKey is NZPOJBVVWVZPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN3O/c1-9(14,4-5-11-2)8-7(10)6-12-13(8)3/h6,11,14H,4-5H2,1-3H3.
What are the key properties of 2-(4-bromo-1-methylpyrazol-5-yl)-4-(methylamino)butan-2-ol?
2-(4-bromo-1-methylpyrazol-5-yl)-4-(methylamino)butan-2-ol has a molecular weight of 262.15 g/mol, XLogP of 1.00, 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)-4-(methylamino)butan-2-ol is sourced from PubChem (CID 114665935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).