1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine

C13H21N5 — CID 19625661

IUPAC1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCn1cc(C(C)NCc2ccnn2C)c(C)n1
InChIInChI=1S/C13H21N5/c1-5-18-9-13(11(3)16-18)10(2)14-8-12-6-7-15-17(12)4/h6-7,9-10,14H,5,8H2,1-4H3
InChIKeyNCGDDDOGCACZFZ-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.80
Rot. Bonds5

About 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine

1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 19625661) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID19625661
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCn1cc(C(C)NCc2ccnn2C)c(C)n1
InChIInChI=1S/C13H21N5/c1-5-18-9-13(11(3)16-18)10(2)14-8-12-6-7-15-17(12)4/h6-7,9-10,14H,5,8H2,1-4H3
InChIKeyNCGDDDOGCACZFZ-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 19626689
N-benzyl-1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine
CID 19625231
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-3-yl)methyl]ethanamine
CID 19625650
1-(1-ethyl-3-methylpyrazol-4-yl)-N-methylethanamine
CID 23005800
2-[[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]methyl]phenol
CID 19627467
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]ethanamine
CID 19625559
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 19625235
1-(2-ethylpyrazol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 19625601
1-(2-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 60927610
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 19625239
1-(3,5-dimethylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 79479697
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 19625240

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (CID 19625661) is 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is CCn1cc(C(C)NCc2ccnn2C)c(C)n1.
What is the InChIKey of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is NCGDDDOGCACZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-5-18-9-13(11(3)16-18)10(2)14-8-12-6-7-15-17(12)4/h6-7,9-10,14H,5,8H2,1-4H3.
What are the key properties of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 247.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 19625661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).