1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine

C16H24N4 — CID 115761553

IUPAC1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
SMILESCCn1nccc1CNCc1ccccc1CN(C)C
InChIInChI=1S/C16H24N4/c1-4-20-16(9-10-18-20)12-17-11-14-7-5-6-8-15(14)13-19(2)3/h5-10,17H,4,11-13H2,1-3H3
InChIKeyKQHYVOVGFRRAGG-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.25
Rot. Bonds7

About 1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine

1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine (PubChem CID 115761553) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
PubChem CID115761553
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
SMILESCCn1nccc1CNCc1ccccc1CN(C)C
InChIInChI=1S/C16H24N4/c1-4-20-16(9-10-18-20)12-17-11-14-7-5-6-8-15(14)13-19(2)3/h5-10,17H,4,11-13H2,1-3H3
InChIKeyKQHYVOVGFRRAGG-UHFFFAOYSA-N
XLogP2.25
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 43663267
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
2-[(dimethylamino)methyl]-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555445
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 122169168
N'-[(2-ethylpyrazol-3-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 115761351
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761680
N-[(2-ethylpyrazol-3-yl)methyl]-N'-methyl-N'-phenylpropane-1,3-diamine
CID 115761423
1-(2-ethylpyrazol-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589102
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 124932286
[3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]phenyl]methanol
CID 113334884
N-ethyl-N-[[5-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenyl]methyl]ethanamine
CID 19625042
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
CID 126964497

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine (CID 115761553) is 1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine is CCn1nccc1CNCc1ccccc1CN(C)C.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine?
The InChIKey is KQHYVOVGFRRAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-4-20-16(9-10-18-20)12-17-11-14-7-5-6-8-15(14)13-19(2)3/h5-10,17H,4,11-13H2,1-3H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine?
1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine has a molecular weight of 272.40 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 115761553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).