N-[2-[3,5-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethyl]propan-1-amine

C16H27N5 — CID 103015723

IUPACN-[2-[3,5-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethyl]propan-1-amine
SMILESCCCNCCc1c(C)nn(CCc2ccnn2C)c1C
InChIInChI=1S/C16H27N5/c1-5-9-17-10-7-16-13(2)19-21(14(16)3)12-8-15-6-11-18-20(15)4/h6,11,17H,5,7-10,12H2,1-4H3
InChIKeyJAZAKEBBFFPYDM-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.02
Rot. Bonds8

About N-[2-[3,5-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethyl]propan-1-amine

N-[2-[3,5-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethyl]propan-1-amine (PubChem CID 103015723) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-[2-[3,5-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[3,5-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethyl]propan-1-amine
PubChem CID103015723
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC NameN-[2-[3,5-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethyl]propan-1-amine
SMILESCCCNCCc1c(C)nn(CCc2ccnn2C)c1C
InChIInChI=1S/C16H27N5/c1-5-9-17-10-7-16-13(2)19-21(14(16)3)12-8-15-6-11-18-20(15)4/h6,11,17H,5,7-10,12H2,1-4H3
InChIKeyJAZAKEBBFFPYDM-UHFFFAOYSA-N
XLogP2.02
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3,5-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine
CID 103015727
N-[2-[1-(2-ethylsulfonylethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 79225448
N-[2-(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)ethyl]propan-1-amine
CID 104811614
N-[2-[2-(2-methylpyrazol-3-yl)ethoxy]ethyl]propan-1-amine
CID 103004060
N-[2-[1-[(5-bromo-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 104811615
2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine
CID 114532016
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106844750
4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
CID 103005787
N-[2-[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 103140561
N',N'-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine
CID 103000722
6-[2-(2-methylpyrazol-3-yl)ethylamino]hexan-1-ol
CID 107703692
2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 103014342

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,5-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[3,5-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethyl]propan-1-amine (CID 103015723) is N-[2-[3,5-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[3,5-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[3,5-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethyl]propan-1-amine is CCCNCCc1c(C)nn(CCc2ccnn2C)c1C.
What is the InChIKey of N-[2-[3,5-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethyl]propan-1-amine?
The InChIKey is JAZAKEBBFFPYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-5-9-17-10-7-16-13(2)19-21(14(16)3)12-8-15-6-11-18-20(15)4/h6,11,17H,5,7-10,12H2,1-4H3.
What are the key properties of N-[2-[3,5-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethyl]propan-1-amine?
N-[2-[3,5-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethyl]propan-1-amine has a molecular weight of 289.43 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,5-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103015723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).