N-[[5-methyl-1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine

C16H23N3 — CID 63266059

IUPACN-[[5-methyl-1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(CCCc2ccccc2)c1C
InChIInChI=1S/C16H23N3/c1-3-17-12-16-13-18-19(14(16)2)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,13,17H,3,7,10-12H2,1-2H3
InChIKeyZJYOPIDFAPZBIX-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.93
Rot. Bonds7

About N-[[5-methyl-1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine

N-[[5-methyl-1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine (PubChem CID 63266059) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[[5-methyl-1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-methyl-1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine
PubChem CID63266059
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[[5-methyl-1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(CCCc2ccccc2)c1C
InChIInChI=1S/C16H23N3/c1-3-17-12-16-13-18-19(14(16)2)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,13,17H,3,7,10-12H2,1-2H3
InChIKeyZJYOPIDFAPZBIX-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-methyl-1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine (CID 63266059) is N-[[5-methyl-1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-methyl-1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-methyl-1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine is CCNCc1cnn(CCCc2ccccc2)c1C.
What is the InChIKey of N-[[5-methyl-1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine?
The InChIKey is ZJYOPIDFAPZBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-17-12-16-13-18-19(14(16)2)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,13,17H,3,7,10-12H2,1-2H3.
What are the key properties of N-[[5-methyl-1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine?
N-[[5-methyl-1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 63266059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).