N-[(3-phenyl-4-propyl-1H-pyrazol-5-yl)methyl]ethanamine

C15H21N3 — CID 54847412

IUPACN-[(3-phenyl-4-propyl-1H-pyrazol-5-yl)methyl]ethanamine
SMILESCCCc1c(-c2ccccc2)n[nH]c1CNCC
InChIInChI=1S/C15H21N3/c1-3-8-13-14(11-16-4-2)17-18-15(13)12-9-6-5-7-10-12/h5-7,9-10,16H,3-4,8,11H2,1-2H3,(H,17,18)
InChIKeyCLIIVWHMYFYIRZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.14
Rot. Bonds6

About N-[(3-phenyl-4-propyl-1H-pyrazol-5-yl)methyl]ethanamine

N-[(3-phenyl-4-propyl-1H-pyrazol-5-yl)methyl]ethanamine (PubChem CID 54847412) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(3-phenyl-4-propyl-1H-pyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-phenyl-4-propyl-1H-pyrazol-5-yl)methyl]ethanamine
PubChem CID54847412
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[(3-phenyl-4-propyl-1H-pyrazol-5-yl)methyl]ethanamine
SMILESCCCc1c(-c2ccccc2)n[nH]c1CNCC
InChIInChI=1S/C15H21N3/c1-3-8-13-14(11-16-4-2)17-18-15(13)12-9-6-5-7-10-12/h5-7,9-10,16H,3-4,8,11H2,1-2H3,(H,17,18)
InChIKeyCLIIVWHMYFYIRZ-UHFFFAOYSA-N
XLogP3.14
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-4-propyl-1H-pyrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(3-phenyl-4-propyl-1H-pyrazol-5-yl)methyl]ethanamine (CID 54847412) is N-[(3-phenyl-4-propyl-1H-pyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-phenyl-4-propyl-1H-pyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-phenyl-4-propyl-1H-pyrazol-5-yl)methyl]ethanamine is CCCc1c(-c2ccccc2)n[nH]c1CNCC.
What is the InChIKey of N-[(3-phenyl-4-propyl-1H-pyrazol-5-yl)methyl]ethanamine?
The InChIKey is CLIIVWHMYFYIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-8-13-14(11-16-4-2)17-18-15(13)12-9-6-5-7-10-12/h5-7,9-10,16H,3-4,8,11H2,1-2H3,(H,17,18).
What are the key properties of N-[(3-phenyl-4-propyl-1H-pyrazol-5-yl)methyl]ethanamine?
N-[(3-phenyl-4-propyl-1H-pyrazol-5-yl)methyl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-4-propyl-1H-pyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 54847412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).