2-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine

C11H17N5 — CID 79003445

IUPAC2-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
SMILESCn1cc(CCNCCn2cccn2)cn1
InChIInChI=1S/C11H17N5/c1-15-10-11(9-14-15)3-5-12-6-8-16-7-2-4-13-16/h2,4,7,9-10,12H,3,5-6,8H2,1H3
InChIKeyZMKBTJFRWXQLIF-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.45
Rot. Bonds6

About 2-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine

2-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine (PubChem CID 79003445) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
PubChem CID79003445
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name2-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
SMILESCn1cc(CCNCCn2cccn2)cn1
InChIInChI=1S/C11H17N5/c1-15-10-11(9-14-15)3-5-12-6-8-16-7-2-4-13-16/h2,4,7,9-10,12H,3,5-6,8H2,1H3
InChIKeyZMKBTJFRWXQLIF-UHFFFAOYSA-N
XLogP0.45
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.45
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-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine
CID 80688590
(2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyrazol-1-ylbutan-2-amine
CID 124594412
2-(1-methylpyrazol-3-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 106104866
N-(2-phenylethyl)-3-pyrazol-1-ylpropan-1-amine
CID 112684820
3-imidazol-1-yl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 80689787
N-[(1-methylpyrazol-4-yl)methyl]-2-phenylethanamine;hydrochloride
CID 126966836
6-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]hexan-1-amine
CID 107844230
1-methyl-4-propylpyrazole;propane
CID 155742221
3-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 103002222
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-methylsulfanylbutan-1-amine
CID 103002144
ethyl 3-[2-(1-methylpyrazol-4-yl)ethylamino]propanoate
CID 80689143
N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 61459569

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine (CID 79003445) is 2-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine is Cn1cc(CCNCCn2cccn2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The InChIKey is ZMKBTJFRWXQLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-15-10-11(9-14-15)3-5-12-6-8-16-7-2-4-13-16/h2,4,7,9-10,12H,3,5-6,8H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine?
2-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine has a molecular weight of 219.29 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine is sourced from PubChem (CID 79003445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).