N-[(2-ethylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine

C17H25N3 — CID 115857601

IUPACN-[(2-ethylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
SMILESCCCn1nccc1C(NCC)c1ccccc1CC
InChIInChI=1S/C17H25N3/c1-4-13-20-16(11-12-19-20)17(18-6-3)15-10-8-7-9-14(15)5-2/h7-12,17-18H,4-6,13H2,1-3H3
InChIKeyWAHJHLMPLBSVMH-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.55
Rot. Bonds7

About N-[(2-ethylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine

N-[(2-ethylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine (PubChem CID 115857601) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[(2-ethylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
PubChem CID115857601
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[(2-ethylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
SMILESCCCn1nccc1C(NCC)c1ccccc1CC
InChIInChI=1S/C17H25N3/c1-4-13-20-16(11-12-19-20)17(18-6-3)15-10-8-7-9-14(15)5-2/h7-12,17-18H,4-6,13H2,1-3H3
InChIKeyWAHJHLMPLBSVMH-UHFFFAOYSA-N
XLogP3.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 102803704
2-(2-chlorophenyl)-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 63975748
2-[hydrazinyl-(2-propylpyrazol-3-yl)methyl]aniline
CID 105223752
1-(2-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 63976399
N-[(2-propylpyrazol-3-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine
CID 103127143
N-[(3-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 115857441
N-ethyl-2-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975556
N-[(4,5-dibromothiophen-2-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 115857741
N-[(2-ethylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103135731
N-ethyl-2-phenoxy-1-(2-propylpyrazol-3-yl)ethanamine
CID 63976177
N-[(3-chloro-5-methylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 115857326
N-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 63976154

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-ethylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine (CID 115857601) is N-[(2-ethylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-ethylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-ethylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine is CCCn1nccc1C(NCC)c1ccccc1CC.
What is the InChIKey of N-[(2-ethylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is WAHJHLMPLBSVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-13-20-16(11-12-19-20)17(18-6-3)15-10-8-7-9-14(15)5-2/h7-12,17-18H,4-6,13H2,1-3H3.
What are the key properties of N-[(2-ethylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine?
N-[(2-ethylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 115857601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).