N-[(5-bromo-1H-imidazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)pyrazol-3-amine

C15H16BrN5 — CID 139016321

IUPACN-[(5-bromo-1H-imidazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)pyrazol-3-amine
SMILESCc1ccc(-n2nc(NCc3ncc(Br)[nH]3)cc2C)cc1
InChIInChI=1S/C15H16BrN5/c1-10-3-5-12(6-4-10)21-11(2)7-14(20-21)18-9-15-17-8-13(16)19-15/h3-8H,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyQMHCMCJVHKGANV-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.59
Rot. Bonds4

About N-[(5-bromo-1H-imidazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)pyrazol-3-amine

N-[(5-bromo-1H-imidazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)pyrazol-3-amine (PubChem CID 139016321) has the molecular formula C15H16BrN5 and a molecular weight of 346.23 g/mol. Its IUPAC name is N-[(5-bromo-1H-imidazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-[(5-bromo-1H-imidazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)pyrazol-3-amine
PubChem CID139016321
Molecular FormulaC15H16BrN5
Molecular Weight346.23 g/mol
Exact Mass345.06
IUPAC NameN-[(5-bromo-1H-imidazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)pyrazol-3-amine
SMILESCc1ccc(-n2nc(NCc3ncc(Br)[nH]3)cc2C)cc1
InChIInChI=1S/C15H16BrN5/c1-10-3-5-12(6-4-10)21-11(2)7-14(20-21)18-9-15-17-8-13(16)19-15/h3-8H,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyQMHCMCJVHKGANV-UHFFFAOYSA-N
XLogP3.59
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxy-6-methyl-3-pyridinyl)methyl]-5-methyl-1-(4-methylphenyl)pyrazol-3-amine
CID 166364458
2-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 75497567
1-(5-bromo-1H-imidazol-2-yl)-N-methoxymethanamine
CID 126983139
3-iodo-5-methyl-1-(4-methylphenyl)pyrazole
CID 145470553
2-methyl-N-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
CID 66440653
2-(methoxymethyl)-6-methyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrimidin-4-amine
CID 139017886
5-bromo-2-(2,2-dimethylpropyl)-1H-imidazole
CID 117259218
5-bromo-2-(4-methylphenyl)-1H-imidazole
CID 117259266
N-[[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine
CID 63772919
2-bromo-N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide
CID 42880595
5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372798
1-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-3-[(2-naphthalen-2-ylacetyl)amino]urea
CID 166211629

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-1H-imidazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)pyrazol-3-amine?
The IUPAC name of N-[(5-bromo-1H-imidazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)pyrazol-3-amine (CID 139016321) is N-[(5-bromo-1H-imidazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)pyrazol-3-amine.
What is the SMILES notation for N-[(5-bromo-1H-imidazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)pyrazol-3-amine?
The canonical SMILES for N-[(5-bromo-1H-imidazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)pyrazol-3-amine is Cc1ccc(-n2nc(NCc3ncc(Br)[nH]3)cc2C)cc1.
What is the InChIKey of N-[(5-bromo-1H-imidazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)pyrazol-3-amine?
The InChIKey is QMHCMCJVHKGANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5/c1-10-3-5-12(6-4-10)21-11(2)7-14(20-21)18-9-15-17-8-13(16)19-15/h3-8H,9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[(5-bromo-1H-imidazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)pyrazol-3-amine?
N-[(5-bromo-1H-imidazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)pyrazol-3-amine has a molecular weight of 346.23 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-1H-imidazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)pyrazol-3-amine is sourced from PubChem (CID 139016321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).