N-[1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine

C17H25N3 — CID 63977027

IUPACN-[1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1C)c1ccnn1CC
InChIInChI=1S/C17H25N3/c1-4-11-18-16(17-10-12-19-20(17)5-2)13-15-9-7-6-8-14(15)3/h6-10,12,16,18H,4-5,11,13H2,1-3H3
InChIKeyWTWYTFYLAMNJNP-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.49
Rot. Bonds7

About N-[1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine

N-[1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine (PubChem CID 63977027) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
PubChem CID63977027
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1C)c1ccnn1CC
InChIInChI=1S/C17H25N3/c1-4-11-18-16(17-10-12-19-20(17)5-2)13-15-9-7-6-8-14(15)3/h6-10,12,16,18H,4-5,11,13H2,1-3H3
InChIKeyWTWYTFYLAMNJNP-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethylpyrazol-3-yl)-phenylmethyl]propan-1-amine
CID 63976584
N-[2-(5-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105377437
2-(2-bromophenyl)-1-(2-ethylpyrazol-3-yl)-N-methylethanamine
CID 63976182
N-[2-(4-methylphenyl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 63976175
4-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylbutan-1-amine
CID 105148476
2-(2-chlorophenyl)-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 63975748
N-[1-(2-bromophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63415263
[1-(2-ethylpyrazol-3-yl)-2-(2-methoxyphenyl)ethyl]hydrazine
CID 105205035
N-[(2-ethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63976818
N-[1-(3-methoxypyrazin-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 104515448
N-[1-(3-bromofuran-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63944020
N-[(2-ethylpyrazol-3-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 63976367

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine (CID 63977027) is N-[1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1C)c1ccnn1CC.
What is the InChIKey of N-[1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine?
The InChIKey is WTWYTFYLAMNJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-11-18-16(17-10-12-19-20(17)5-2)13-15-9-7-6-8-14(15)3/h6-10,12,16,18H,4-5,11,13H2,1-3H3.
What are the key properties of N-[1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine?
N-[1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63977027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).