4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-propan-2-ylpyrazol-5-amine;hydrochloride

C10H17BrClN5 — CID 23330492

IUPAC4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-propan-2-ylpyrazol-5-amine;hydrochloride
SMILESCc1nn(C(C)C)c(NC2=NCCN2)c1Br.Cl
InChIInChI=1S/C10H16BrN5.ClH/c1-6(2)16-9(8(11)7(3)15-16)14-10-12-4-5-13-10;/h6H,4-5H2,1-3H3,(H2,12,13,14);1H
InChIKeyOEPPOULLVVETNZ-UHFFFAOYSA-N
MW322.64 g/mol
LogP2.33
Rot. Bonds2

About 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-propan-2-ylpyrazol-5-amine;hydrochloride

4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-propan-2-ylpyrazol-5-amine;hydrochloride (PubChem CID 23330492) has the molecular formula C10H17BrClN5 and a molecular weight of 322.64 g/mol. Its IUPAC name is 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-propan-2-ylpyrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-propan-2-ylpyrazol-5-amine;hydrochloride
PubChem CID23330492
Molecular FormulaC10H17BrClN5
Molecular Weight322.64 g/mol
Exact Mass321.04
IUPAC Name4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-propan-2-ylpyrazol-5-amine;hydrochloride
SMILESCc1nn(C(C)C)c(NC2=NCCN2)c1Br.Cl
InChIInChI=1S/C10H16BrN5.ClH/c1-6(2)16-9(8(11)7(3)15-16)14-10-12-4-5-13-10;/h6H,4-5H2,1-3H3,(H2,12,13,14);1H
InChIKeyOEPPOULLVVETNZ-UHFFFAOYSA-N
XLogP2.33
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.64
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N5-ethyl-1,3-dimethyl-1H-pyrazole-4,5-diamine hydrochloride
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3-Bromo-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-propan-2-ylpyrazol-5-amine;hydrochloride?
The IUPAC name of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-propan-2-ylpyrazol-5-amine;hydrochloride (CID 23330492) is 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-propan-2-ylpyrazol-5-amine;hydrochloride.
What is the SMILES notation for 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-propan-2-ylpyrazol-5-amine;hydrochloride?
The canonical SMILES for 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-propan-2-ylpyrazol-5-amine;hydrochloride is Cc1nn(C(C)C)c(NC2=NCCN2)c1Br.Cl.
What is the InChIKey of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-propan-2-ylpyrazol-5-amine;hydrochloride?
The InChIKey is OEPPOULLVVETNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN5.ClH/c1-6(2)16-9(8(11)7(3)15-16)14-10-12-4-5-13-10;/h6H,4-5H2,1-3H3,(H2,12,13,14);1H.
What are the key properties of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-propan-2-ylpyrazol-5-amine;hydrochloride?
4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-propan-2-ylpyrazol-5-amine;hydrochloride has a molecular weight of 322.64 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-propan-2-ylpyrazol-5-amine;hydrochloride is sourced from PubChem (CID 23330492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).