2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine

C16H23N3 — CID 115616849

IUPAC2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine
SMILESCCC(CC)CNCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C16H23N3/c1-3-13(4-2)10-17-11-15-12-18-19-16(15)14-8-6-5-7-9-14/h5-9,12-13,17H,3-4,10-11H2,1-2H3,(H,18,19)
InChIKeyCNQNYBSTMHNTJA-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.60
Rot. Bonds7

About 2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine

2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine (PubChem CID 115616849) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine
PubChem CID115616849
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine
SMILESCCC(CC)CNCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C16H23N3/c1-3-13(4-2)10-17-11-15-12-18-19-16(15)14-8-6-5-7-9-14/h5-9,12-13,17H,3-4,10-11H2,1-2H3,(H,18,19)
InChIKeyCNQNYBSTMHNTJA-UHFFFAOYSA-N
XLogP3.60
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine?
The IUPAC name of 2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine (CID 115616849) is 2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine?
The canonical SMILES for 2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine is CCC(CC)CNCc1cn[nH]c1-c1ccccc1.
What is the InChIKey of 2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine?
The InChIKey is CNQNYBSTMHNTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-13(4-2)10-17-11-15-12-18-19-16(15)14-8-6-5-7-9-14/h5-9,12-13,17H,3-4,10-11H2,1-2H3,(H,18,19).
What are the key properties of 2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine?
2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 115616849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).