N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine

C13H21N5 — CID 106104735

IUPACN-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCCn1nc(C)cc1CNCCc1ccn(C)n1
InChIInChI=1S/C13H21N5/c1-4-18-13(9-11(2)15-18)10-14-7-5-12-6-8-17(3)16-12/h6,8-9,14H,4-5,7,10H2,1-3H3
InChIKeyVHKHCIYSIGTRES-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.28
Rot. Bonds6

About N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine

N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 106104735) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID106104735
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCCn1nc(C)cc1CNCCc1ccn(C)n1
InChIInChI=1S/C13H21N5/c1-4-18-13(9-11(2)15-18)10-14-7-5-12-6-8-17(3)16-12/h6,8-9,14H,4-5,7,10H2,1-3H3
InChIKeyVHKHCIYSIGTRES-UHFFFAOYSA-N
XLogP1.28
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.28
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-ethylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626945
2-(1-methylpyrazol-3-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 104627051
N-[(4-methylphenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626931
2-(1-methylpyrazol-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 114143921
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 106104808
2-(cyclopenten-1-yl)-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 106174050
N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626984
N-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104627021
N-[(4-chloro-2-methylphenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 113461526
2-(1-methylpyrazol-3-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 104626854
N-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626842
N-(furan-3-ylmethyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626797

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine (CID 106104735) is N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine is CCn1nc(C)cc1CNCCc1ccn(C)n1.
What is the InChIKey of N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is VHKHCIYSIGTRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-4-18-13(9-11(2)15-18)10-14-7-5-12-6-8-17(3)16-12/h6,8-9,14H,4-5,7,10H2,1-3H3.
What are the key properties of N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine?
N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 247.35 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 106104735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).