1-(1-methylimidazol-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine

C16H27N5 — CID 105167081

IUPAC1-(1-methylimidazol-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
SMILESCCCNC(Cc1c(C)nn(C)c1C)Cc1nccn1C
InChIInChI=1S/C16H27N5/c1-6-7-17-14(11-16-18-8-9-20(16)4)10-15-12(2)19-21(5)13(15)3/h8-9,14,17H,6-7,10-11H2,1-5H3
InChIKeyGKXNVBAUXUJCAV-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.92
Rot. Bonds7

About 1-(1-methylimidazol-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine

1-(1-methylimidazol-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine (PubChem CID 105167081) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
PubChem CID105167081
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name1-(1-methylimidazol-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
SMILESCCCNC(Cc1c(C)nn(C)c1C)Cc1nccn1C
InChIInChI=1S/C16H27N5/c1-6-7-17-14(11-16-18-8-9-20(16)4)10-15-12(2)19-21(5)13(15)3/h8-9,14,17H,6-7,10-11H2,1-5H3
InChIKeyGKXNVBAUXUJCAV-UHFFFAOYSA-N
XLogP1.92
TPSA47.67 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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1-propylimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine
CID 105323452
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-2-amine
CID 105124668
5-methoxy-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 79760856
N-ethyl-2-(1-methylimidazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105167045
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)hept-6-yn-2-amine
CID 105179515
1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)-N-propylpropan-2-amine
CID 79760472
N-ethyl-1-(1-propylimidazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105148851
6-methyl-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-amine
CID 105127219
1-(1-methylimidazol-2-yl)-N-propyl-5-pyridin-4-ylpentan-3-amine
CID 105187730
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-3-amine
CID 105126410
N-[1-(3-fluoro-4-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105181891
3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 116758319

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
The IUPAC name of 1-(1-methylimidazol-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine (CID 105167081) is 1-(1-methylimidazol-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine is CCCNC(Cc1c(C)nn(C)c1C)Cc1nccn1C.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
The InChIKey is GKXNVBAUXUJCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-6-7-17-14(11-16-18-8-9-20(16)4)10-15-12(2)19-21(5)13(15)3/h8-9,14,17H,6-7,10-11H2,1-5H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
1-(1-methylimidazol-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine has a molecular weight of 289.43 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 105167081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).