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

C16H27N5 — CID 114541567

IUPACN-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(C)n(CCCn2cncc2CNC(C)(C)C)n1
InChIInChI=1S/C16H27N5/c1-13-9-14(2)21(19-13)8-6-7-20-12-17-10-15(20)11-18-16(3,4)5/h9-10,12,18H,6-8,11H2,1-5H3
InChIKeyGBRJDYQMTJHFKH-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.67
Rot. Bonds6

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

N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 114541567) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID114541567
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC NameN-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(C)n(CCCn2cncc2CNC(C)(C)C)n1
InChIInChI=1S/C16H27N5/c1-13-9-14(2)21(19-13)8-6-7-20-12-17-10-15(20)11-18-16(3,4)5/h9-10,12,18H,6-8,11H2,1-5H3
InChIKeyGBRJDYQMTJHFKH-UHFFFAOYSA-N
XLogP2.67
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methanol
CID 114541583
N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]propan-2-amine
CID 114541560
N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66146275
2-methyl-N-[[3-(4-methylpentyl)imidazol-4-yl]methyl]propan-2-amine
CID 66150352
N-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)pentan-1-amine
CID 62449266
1-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 114707725
4-[5-[(tert-butylamino)methyl]imidazol-1-yl]-N-cyclopropylbutanamide
CID 79401031
N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536380
2-methyl-N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66146912
1-(6-chlorohexyl)-3,5-dimethylpyrazole
CID 62227990
N-[[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66148632
2-methyl-N-[[3-(2-thiophen-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66147964

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine (CID 114541567) is N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine is Cc1cc(C)n(CCCn2cncc2CNC(C)(C)C)n1.
What is the InChIKey of N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is GBRJDYQMTJHFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-13-9-14(2)21(19-13)8-6-7-20-12-17-10-15(20)11-18-16(3,4)5/h9-10,12,18H,6-8,11H2,1-5H3.
What are the key properties of N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 289.43 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114541567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).