4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-(3-methylbutyl)pyrazol-5-amine

C12H20BrN5 — CID 12763838

IUPAC4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-(3-methylbutyl)pyrazol-5-amine
SMILESCc1nn(CCC(C)C)c(NC2=NCCN2)c1Br
InChIInChI=1S/C12H20BrN5/c1-8(2)4-7-18-11(10(13)9(3)17-18)16-12-14-5-6-15-12/h8H,4-7H2,1-3H3,(H2,14,15,16)
InChIKeyYQUKLIMNUNMFGS-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.37
Rot. Bonds4

About 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-(3-methylbutyl)pyrazol-5-amine

4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-(3-methylbutyl)pyrazol-5-amine (PubChem CID 12763838) has the molecular formula C12H20BrN5 and a molecular weight of 314.23 g/mol. Its IUPAC name is 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-(3-methylbutyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-(3-methylbutyl)pyrazol-5-amine
PubChem CID12763838
Molecular FormulaC12H20BrN5
Molecular Weight314.23 g/mol
Exact Mass313.09
IUPAC Name4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-(3-methylbutyl)pyrazol-5-amine
SMILESCc1nn(CCC(C)C)c(NC2=NCCN2)c1Br
InChIInChI=1S/C12H20BrN5/c1-8(2)4-7-18-11(10(13)9(3)17-18)16-12-14-5-6-15-12/h8H,4-7H2,1-3H3,(H2,14,15,16)
InChIKeyYQUKLIMNUNMFGS-UHFFFAOYSA-N
XLogP2.37
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136328646
3-bromo-2,6-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136329534
4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-3-propan-2-ylpyrazol-5-amine
CID 12763837
4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-propan-2-ylpyrazol-5-amine
CID 12763840
4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-di(propan-2-yl)pyrazol-5-amine
CID 12763842
2[1-(3-Methylbutyl)-3-methyl-5-pyrazolyl]amino-2-imidazoline
CID 12763855
N(3)-(2,2-Dimethyl-propyl)-2,5-dimethyl-2H-pyrazole-3,4-diamine
CID 15907520
3-[(4-Amino-1,3-dimethylpyrazol-5-yl)amino]propyl-trimethylazanium
CID 17865193
4-N'-[5-(2-aminoethylamino)-1,3-dimethylpyrazol-4-yl]pyrazole-3,4,4,5-tetramine
CID 18626956
4-Bromo-1-ethyl-3-methylpyrazol-5-amine
CID 19619878
4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-propan-2-ylpyrazol-5-amine;hydrochloride
CID 23330492
4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dimethylpyrazol-5-amine
CID 23330504

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-(3-methylbutyl)pyrazol-5-amine?
The IUPAC name of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-(3-methylbutyl)pyrazol-5-amine (CID 12763838) is 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-(3-methylbutyl)pyrazol-5-amine.
What is the SMILES notation for 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-(3-methylbutyl)pyrazol-5-amine?
The canonical SMILES for 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-(3-methylbutyl)pyrazol-5-amine is Cc1nn(CCC(C)C)c(NC2=NCCN2)c1Br.
What is the InChIKey of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-(3-methylbutyl)pyrazol-5-amine?
The InChIKey is YQUKLIMNUNMFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN5/c1-8(2)4-7-18-11(10(13)9(3)17-18)16-12-14-5-6-15-12/h8H,4-7H2,1-3H3,(H2,14,15,16).
What are the key properties of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-(3-methylbutyl)pyrazol-5-amine?
4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1-(3-methylbutyl)pyrazol-5-amine has a molecular weight of 314.23 g/mol, XLogP of 2.37, 4 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-(3-methylbutyl)pyrazol-5-amine is sourced from PubChem (CID 12763838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).