N-benzyl-1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine

C15H21N3 — CID 19625231

IUPACN-benzyl-1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine
SMILESCCn1cc(C(C)NCc2ccccc2)c(C)n1
InChIInChI=1S/C15H21N3/c1-4-18-11-15(13(3)17-18)12(2)16-10-14-8-6-5-7-9-14/h5-9,11-12,16H,4,10H2,1-3H3
InChIKeyNKMTYTIITLRRIL-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.06
Rot. Bonds5

About N-benzyl-1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine

N-benzyl-1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine (PubChem CID 19625231) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-benzyl-1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine
PubChem CID19625231
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-benzyl-1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine
SMILESCCn1cc(C(C)NCc2ccccc2)c(C)n1
InChIInChI=1S/C15H21N3/c1-4-18-11-15(13(3)17-18)12(2)16-10-14-8-6-5-7-9-14/h5-9,11-12,16H,4,10H2,1-3H3
InChIKeyNKMTYTIITLRRIL-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]methyl]phenol
CID 19627467
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 19625240
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 19625235
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 19625239
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-3-yl)methyl]ethanamine
CID 19625650
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 19626689
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 19625661
1-(1-ethyl-3-methylpyrazol-4-yl)-N-methylethanamine
CID 23005800
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-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 19627712
N-benzyl-1-ethyl-3-methylpyrazol-4-amine;hydrochloride
CID 126964772
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126963926

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine?
The IUPAC name of N-benzyl-1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine (CID 19625231) is N-benzyl-1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-benzyl-1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-benzyl-1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine is CCn1cc(C(C)NCc2ccccc2)c(C)n1.
What is the InChIKey of N-benzyl-1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine?
The InChIKey is NKMTYTIITLRRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-18-11-15(13(3)17-18)12(2)16-10-14-8-6-5-7-9-14/h5-9,11-12,16H,4,10H2,1-3H3.
What are the key properties of N-benzyl-1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine?
N-benzyl-1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine has a molecular weight of 243.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 19625231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).