4-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride

C11H20BrClN4O — CID 120962374

IUPAC4-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCc1nn(C)c(CNCC2CNCC2O)c1Br.Cl
InChIInChI=1S/C11H19BrN4O.ClH/c1-7-11(12)9(16(2)15-7)5-13-3-8-4-14-6-10(8)17;/h8,10,13-14,17H,3-6H2,1-2H3;1H
InChIKeyBZBLEEOSYQPWNJ-UHFFFAOYSA-N
MW339.67 g/mol
LogP0.58
Rot. Bonds4

About 4-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride

4-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 120962374) has the molecular formula C11H20BrClN4O and a molecular weight of 339.67 g/mol. Its IUPAC name is 4-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
PubChem CID120962374
Molecular FormulaC11H20BrClN4O
Molecular Weight339.67 g/mol
Exact Mass338.05
IUPAC Name4-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCc1nn(C)c(CNCC2CNCC2O)c1Br.Cl
InChIInChI=1S/C11H19BrN4O.ClH/c1-7-11(12)9(16(2)15-7)5-13-3-8-4-14-6-10(8)17;/h8,10,13-14,17H,3-6H2,1-2H3;1H
InChIKeyBZBLEEOSYQPWNJ-UHFFFAOYSA-N
XLogP0.58
TPSA62.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.67
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride with MolForge

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Related Compounds

3-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]cyclobutan-1-ol
CID 66007024
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(4-chlorocyclohexyl)methanamine
CID 106123739
4-[[(3-bromo-4-methylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120963056
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-ethylcyclopropan-1-amine
CID 107302738
4-[[(2-bromo-4-methylphenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120962257
4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961758
4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962338
4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol
CID 120961741
(2S)-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]-3-methylbutan-1-ol
CID 79249368
4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962758
4-[[[1-(4-bromophenyl)-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
CID 120962385
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83144029

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 4-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride (CID 120962374) is 4-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 4-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 4-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride is Cc1nn(C)c(CNCC2CNCC2O)c1Br.Cl.
What is the InChIKey of 4-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is BZBLEEOSYQPWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4O.ClH/c1-7-11(12)9(16(2)15-7)5-13-3-8-4-14-6-10(8)17;/h8,10,13-14,17H,3-6H2,1-2H3;1H.
What are the key properties of 4-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
4-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 339.67 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 120962374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).