2-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine

C14H23N5 — CID 106040953

IUPAC2-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
SMILESCc1c(Cn2cncc2C(CN)C(C)C)cnn1C
InChIInChI=1S/C14H23N5/c1-10(2)13(5-15)14-7-16-9-19(14)8-12-6-17-18(4)11(12)3/h6-7,9-10,13H,5,8,15H2,1-4H3
InChIKeyHQMZJPRRZHCWPC-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.67
Rot. Bonds5

About 2-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine

2-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine (PubChem CID 106040953) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
PubChem CID106040953
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
SMILESCc1c(Cn2cncc2C(CN)C(C)C)cnn1C
InChIInChI=1S/C14H23N5/c1-10(2)13(5-15)14-7-16-9-19(14)8-12-6-17-18(4)11(12)3/h6-7,9-10,13H,5,8,15H2,1-4H3
InChIKeyHQMZJPRRZHCWPC-UHFFFAOYSA-N
XLogP1.67
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine
CID 106040980
2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107443913
2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107443923
3-methyl-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]butan-1-amine
CID 107444218
2-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107444278
3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine
CID 114169292
2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107444090
3-methyl-2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]butan-1-amine
CID 106422452
3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine
CID 106327217
3-methyl-2-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]butan-1-amine
CID 107444354
3-methyl-2-[3-(2-methylsulfinylpropyl)imidazol-4-yl]butan-1-amine
CID 107444361
2-(3-tert-butylimidazol-4-yl)-3-methylbutan-1-amine
CID 107443976

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine?
The IUPAC name of 2-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine (CID 106040953) is 2-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine is Cc1c(Cn2cncc2C(CN)C(C)C)cnn1C.
What is the InChIKey of 2-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine?
The InChIKey is HQMZJPRRZHCWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-10(2)13(5-15)14-7-16-9-19(14)8-12-6-17-18(4)11(12)3/h6-7,9-10,13H,5,8,15H2,1-4H3.
What are the key properties of 2-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine?
2-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 106040953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).