N-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine

C13H21N5 — CID 91831244

IUPACN-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine
SMILESCCN(CCn1cccn1)Cc1ccn(CC)n1
InChIInChI=1S/C13H21N5/c1-3-16(10-11-18-8-5-7-14-18)12-13-6-9-17(4-2)15-13/h5-9H,3-4,10-12H2,1-2H3
InChIKeyBHHGLQJNOSNCJV-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.62
Rot. Bonds7

About N-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine

N-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine (PubChem CID 91831244) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine
PubChem CID91831244
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine
SMILESCCN(CCn1cccn1)Cc1ccn(CC)n1
InChIInChI=1S/C13H21N5/c1-3-16(10-11-18-8-5-7-14-18)12-13-6-9-17(4-2)15-13/h5-9H,3-4,10-12H2,1-2H3
InChIKeyBHHGLQJNOSNCJV-UHFFFAOYSA-N
XLogP1.62
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Pyrazole, 1,3-dimethyl-
CID 79096
(1-Methyl-1H-pyrazol-5-yl)methanamine
CID 7019421
1,5-Dimethylpyrazole
CID 136502
1-Ethyl-N-methyl-1H-pyrazole-5-methanamine
CID 672403
1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine
CID 672402
1-Ethenyl-5-methyl-1h-pyrazole
CID 186634
1H-Pyrazole, 1-ethenyl-3-methyl-
CID 3016825
2-(5-Methyl-pyrazol-1-yl)-ethylamine
CID 3157298
(1-ethyl-1H-pyrazol-5-yl)methanamine
CID 1257624
1-Ethyl-1H-pyrazole-3-methanamine
CID 4715094
(1-Methylpyrazol-3-yl)methanamine
CID 7019419
methyl((1-methyl-1H-pyrazol-3-yl)methyl)amine
CID 7019424

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine?
The IUPAC name of N-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine (CID 91831244) is N-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine is CCN(CCn1cccn1)Cc1ccn(CC)n1.
What is the InChIKey of N-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine?
The InChIKey is BHHGLQJNOSNCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-3-16(10-11-18-8-5-7-14-18)12-13-6-9-17(4-2)15-13/h5-9H,3-4,10-12H2,1-2H3.
What are the key properties of N-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine?
N-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine has a molecular weight of 247.35 g/mol, XLogP of 1.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 91831244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).