(3R)-1-[(3-bromo-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride

C9H16BrClN4 — CID 131002740

IUPAC(3R)-1-[(3-bromo-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.Cn1nc(Br)cc1CN1CC[C@@H](N)C1
InChIInChI=1S/C9H15BrN4.ClH/c1-13-8(4-9(10)12-13)6-14-3-2-7(11)5-14;/h4,7H,2-3,5-6,11H2,1H3;1H/t7-;/m1./s1
InChIKeyLKFREHFTSDVVKO-OGFXRTJISA-N
MW295.61 g/mol
LogP1.14
Rot. Bonds2

About (3R)-1-[(3-bromo-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride

(3R)-1-[(3-bromo-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 131002740) has the molecular formula C9H16BrClN4 and a molecular weight of 295.61 g/mol. Its IUPAC name is (3R)-1-[(3-bromo-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-[(3-bromo-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID131002740
Molecular FormulaC9H16BrClN4
Molecular Weight295.61 g/mol
Exact Mass294.02
IUPAC Name(3R)-1-[(3-bromo-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.Cn1nc(Br)cc1CN1CC[C@@H](N)C1
InChIInChI=1S/C9H15BrN4.ClH/c1-13-8(4-9(10)12-13)6-14-3-2-7(11)5-14;/h4,7H,2-3,5-6,11H2,1H3;1H/t7-;/m1./s1
InChIKeyLKFREHFTSDVVKO-OGFXRTJISA-N
XLogP1.14
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.61
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-bromo-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-[(3-bromo-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride (CID 131002740) is (3R)-1-[(3-bromo-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-[(3-bromo-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-[(3-bromo-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride is Cl.Cn1nc(Br)cc1CN1CC[C@@H](N)C1.
What is the InChIKey of (3R)-1-[(3-bromo-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is LKFREHFTSDVVKO-OGFXRTJISA-N. The full InChI is InChI=1S/C9H15BrN4.ClH/c1-13-8(4-9(10)12-13)6-14-3-2-7(11)5-14;/h4,7H,2-3,5-6,11H2,1H3;1H/t7-;/m1./s1.
What are the key properties of (3R)-1-[(3-bromo-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride?
(3R)-1-[(3-bromo-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 295.61 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-bromo-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 131002740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).