N-[(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine

C13H21N5 — CID 102812063

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)c1cn(C)nc1CC
InChIInChI=1S/C13H21N5/c1-5-12-11(9-18(4)16-12)13(14-6-2)10-7-15-17(3)8-10/h7-9,13-14H,5-6H2,1-4H3
InChIKeyDGKJUDZNEVVEFJ-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.41
Rot. Bonds5

About N-[(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine

N-[(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 102812063) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID102812063
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)c1cn(C)nc1CC
InChIInChI=1S/C13H21N5/c1-5-12-11(9-18(4)16-12)13(14-6-2)10-7-15-17(3)8-10/h7-9,13-14H,5-6H2,1-4H3
InChIKeyDGKJUDZNEVVEFJ-UHFFFAOYSA-N
XLogP1.41
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-ethylphenyl)methyl]ethanamine
CID 102812685
N-[(3-ethyl-1-methylpyrazol-4-yl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 102812742
N-[(2-ethylfuran-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 114104180
N-[(3-ethyl-1-methylpyrazol-4-yl)-(2-methylphenyl)methyl]ethanamine
CID 102812013
N-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine
CID 43492495
N-[(2,3-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492469
N-[(2,5-dibromothiophen-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 107967975
N-[(3,5-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492483
N-[(3-bromo-2-methylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808627
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)prop-2-en-1-amine
CID 102812552
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroethanamine
CID 112671176
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine (CID 102812063) is N-[(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine is CCNC(c1cnn(C)c1)c1cn(C)nc1CC.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is DGKJUDZNEVVEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-5-12-11(9-18(4)16-12)13(14-6-2)10-7-15-17(3)8-10/h7-9,13-14H,5-6H2,1-4H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
N-[(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 247.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 102812063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).