N-[1-[3-(1-ethyl-3-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine

C17H25N3 — CID 66021648

IUPACN-[1-[3-(1-ethyl-3-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(-c2cn(CC)nc2C)c1
InChIInChI=1S/C17H25N3/c1-5-10-18-13(3)15-8-7-9-16(11-15)17-12-20(6-2)19-14(17)4/h7-9,11-13,18H,5-6,10H2,1-4H3
InChIKeyBUTREFGGEBOZOC-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.94
Rot. Bonds6

About N-[1-[3-(1-ethyl-3-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine

N-[1-[3-(1-ethyl-3-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine (PubChem CID 66021648) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[1-[3-(1-ethyl-3-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-(1-ethyl-3-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
PubChem CID66021648
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[1-[3-(1-ethyl-3-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(-c2cn(CC)nc2C)c1
InChIInChI=1S/C17H25N3/c1-5-10-18-13(3)15-8-7-9-16(11-15)17-12-20(6-2)19-14(17)4/h7-9,11-13,18H,5-6,10H2,1-4H3
InChIKeyBUTREFGGEBOZOC-UHFFFAOYSA-N
XLogP3.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1-ethyl-3-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-(1-ethyl-3-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine (CID 66021648) is N-[1-[3-(1-ethyl-3-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-(1-ethyl-3-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-(1-ethyl-3-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1cccc(-c2cn(CC)nc2C)c1.
What is the InChIKey of N-[1-[3-(1-ethyl-3-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine?
The InChIKey is BUTREFGGEBOZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-10-18-13(3)15-8-7-9-16(11-15)17-12-20(6-2)19-14(17)4/h7-9,11-13,18H,5-6,10H2,1-4H3.
What are the key properties of N-[1-[3-(1-ethyl-3-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine?
N-[1-[3-(1-ethyl-3-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1-ethyl-3-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 66021648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).