1-(1-ethylpyrazol-4-yl)-2-phenylpentan-2-amine

C16H23N3 — CID 62127656

IUPAC1-(1-ethylpyrazol-4-yl)-2-phenylpentan-2-amine
SMILESCCCC(N)(Cc1cnn(CC)c1)c1ccccc1
InChIInChI=1S/C16H23N3/c1-3-10-16(17,15-8-6-5-7-9-15)11-14-12-18-19(4-2)13-14/h5-9,12-13H,3-4,10-11,17H2,1-2H3
InChIKeyOCODDHLFAXSBNB-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.10
Rot. Bonds6

About 1-(1-ethylpyrazol-4-yl)-2-phenylpentan-2-amine

1-(1-ethylpyrazol-4-yl)-2-phenylpentan-2-amine (PubChem CID 62127656) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-2-phenylpentan-2-amine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-2-phenylpentan-2-amine
PubChem CID62127656
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(1-ethylpyrazol-4-yl)-2-phenylpentan-2-amine
SMILESCCCC(N)(Cc1cnn(CC)c1)c1ccccc1
InChIInChI=1S/C16H23N3/c1-3-10-16(17,15-8-6-5-7-9-15)11-14-12-18-19(4-2)13-14/h5-9,12-13H,3-4,10-11,17H2,1-2H3
InChIKeyOCODDHLFAXSBNB-UHFFFAOYSA-N
XLogP3.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-phenylpentan-2-amine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-phenylpentan-2-amine (CID 62127656) is 1-(1-ethylpyrazol-4-yl)-2-phenylpentan-2-amine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-2-phenylpentan-2-amine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-2-phenylpentan-2-amine is CCCC(N)(Cc1cnn(CC)c1)c1ccccc1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-2-phenylpentan-2-amine?
The InChIKey is OCODDHLFAXSBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-10-16(17,15-8-6-5-7-9-15)11-14-12-18-19(4-2)13-14/h5-9,12-13H,3-4,10-11,17H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-2-phenylpentan-2-amine?
1-(1-ethylpyrazol-4-yl)-2-phenylpentan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-2-phenylpentan-2-amine is sourced from PubChem (CID 62127656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).