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

C16H27N5 — CID 114707725

IUPAC1-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3-methylbutan-1-amine
SMILESCc1cc(C)n(CCCn2cncc2C(N)CC(C)C)n1
InChIInChI=1S/C16H27N5/c1-12(2)8-15(17)16-10-18-11-20(16)6-5-7-21-14(4)9-13(3)19-21/h9-12,15H,5-8,17H2,1-4H3
InChIKeyJSYFOILZZWYSRA-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.83
Rot. Bonds7

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

1-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3-methylbutan-1-amine (PubChem CID 114707725) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 1-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3-methylbutan-1-amine
PubChem CID114707725
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name1-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3-methylbutan-1-amine
SMILESCc1cc(C)n(CCCn2cncc2C(N)CC(C)C)n1
InChIInChI=1S/C16H27N5/c1-12(2)8-15(17)16-10-18-11-20(16)6-5-7-21-14(4)9-13(3)19-21/h9-12,15H,5-8,17H2,1-4H3
InChIKeyJSYFOILZZWYSRA-UHFFFAOYSA-N
XLogP2.83
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-[3-(3-methylsulfanylpropyl)imidazol-4-yl]butan-1-amine
CID 114706133
N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]propan-2-amine
CID 114541560
[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methanol
CID 114541583
3-methyl-1-[3-(2-methylsulfinylethyl)imidazol-4-yl]butan-1-amine
CID 114707663
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine
CID 115706653
3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine
CID 114703737
N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114541567
3-methyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]butan-1-amine
CID 114704584
1-[3-(2-cyclopropylpropyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114707362
3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-methylpropanamide
CID 114705066
3,5-dimethyl-1-(3-methylbutyl)pyrazole
CID 59748002
1-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706506

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3-methylbutan-1-amine?
The IUPAC name of 1-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3-methylbutan-1-amine (CID 114707725) is 1-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3-methylbutan-1-amine is Cc1cc(C)n(CCCn2cncc2C(N)CC(C)C)n1.
What is the InChIKey of 1-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3-methylbutan-1-amine?
The InChIKey is JSYFOILZZWYSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-12(2)8-15(17)16-10-18-11-20(16)6-5-7-21-14(4)9-13(3)19-21/h9-12,15H,5-8,17H2,1-4H3.
What are the key properties of 1-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3-methylbutan-1-amine?
1-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3-methylbutan-1-amine has a molecular weight of 289.43 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 114707725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).