N-ethyl-2-(4-phenylpyrazol-1-yl)butan-1-amine

C15H21N3 — CID 62769580

IUPACN-ethyl-2-(4-phenylpyrazol-1-yl)butan-1-amine
SMILESCCNCC(CC)n1cc(-c2ccccc2)cn1
InChIInChI=1S/C15H21N3/c1-3-15(11-16-4-2)18-12-14(10-17-18)13-8-6-5-7-9-13/h5-10,12,15-16H,3-4,11H2,1-2H3
InChIKeyBAWOQOAXPJWFSI-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.11
Rot. Bonds6

About N-ethyl-2-(4-phenylpyrazol-1-yl)butan-1-amine

N-ethyl-2-(4-phenylpyrazol-1-yl)butan-1-amine (PubChem CID 62769580) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-ethyl-2-(4-phenylpyrazol-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-phenylpyrazol-1-yl)butan-1-amine
PubChem CID62769580
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-ethyl-2-(4-phenylpyrazol-1-yl)butan-1-amine
SMILESCCNCC(CC)n1cc(-c2ccccc2)cn1
InChIInChI=1S/C15H21N3/c1-3-15(11-16-4-2)18-12-14(10-17-18)13-8-6-5-7-9-13/h5-10,12,15-16H,3-4,11H2,1-2H3
InChIKeyBAWOQOAXPJWFSI-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-phenylpyrazol-1-yl)butan-1-amine?
The IUPAC name of N-ethyl-2-(4-phenylpyrazol-1-yl)butan-1-amine (CID 62769580) is N-ethyl-2-(4-phenylpyrazol-1-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-phenylpyrazol-1-yl)butan-1-amine?
The canonical SMILES for N-ethyl-2-(4-phenylpyrazol-1-yl)butan-1-amine is CCNCC(CC)n1cc(-c2ccccc2)cn1.
What is the InChIKey of N-ethyl-2-(4-phenylpyrazol-1-yl)butan-1-amine?
The InChIKey is BAWOQOAXPJWFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-15(11-16-4-2)18-12-14(10-17-18)13-8-6-5-7-9-13/h5-10,12,15-16H,3-4,11H2,1-2H3.
What are the key properties of N-ethyl-2-(4-phenylpyrazol-1-yl)butan-1-amine?
N-ethyl-2-(4-phenylpyrazol-1-yl)butan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-phenylpyrazol-1-yl)butan-1-amine is sourced from PubChem (CID 62769580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).