N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine

C12H19N5 — CID 104626945

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCCn1nccc1CNCCc1ccn(C)n1
InChIInChI=1S/C12H19N5/c1-3-17-12(5-8-14-17)10-13-7-4-11-6-9-16(2)15-11/h5-6,8-9,13H,3-4,7,10H2,1-2H3
InChIKeyXYYLYMLZLZEPSG-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.97
Rot. Bonds6

About N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine

N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 104626945) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID104626945
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCCn1nccc1CNCCc1ccn(C)n1
InChIInChI=1S/C12H19N5/c1-3-17-12(5-8-14-17)10-13-7-4-11-6-9-16(2)15-11/h5-6,8-9,13H,3-4,7,10H2,1-2H3
InChIKeyXYYLYMLZLZEPSG-UHFFFAOYSA-N
XLogP0.97
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.97
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-ethyl-5-methylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 106104735
1-(1-methylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625389
2-(1-methylpyrazol-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 114143932
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 115762274
N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpyrazol-3-amine
CID 19626399
1-(1-ethylpyrazol-3-yl)-N-[(2-ethylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965982
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 106104808
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
CID 126964497
N-(furan-3-ylmethyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626797
N-[(2-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 113434541
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396816

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine (CID 104626945) is N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine is CCn1nccc1CNCCc1ccn(C)n1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is XYYLYMLZLZEPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-3-17-12(5-8-14-17)10-13-7-4-11-6-9-16(2)15-11/h5-6,8-9,13H,3-4,7,10H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine?
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 233.32 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 104626945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).