N-[[4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine

C16H23N3 — CID 66096186

IUPACN-[[4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine
SMILESCCCn1ncc(-c2ccc(CNCC)cc2)c1C
InChIInChI=1S/C16H23N3/c1-4-10-19-13(3)16(12-18-19)15-8-6-14(7-9-15)11-17-5-2/h6-9,12,17H,4-5,10-11H2,1-3H3
InChIKeyZLPAEZLXKMPOBB-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.38
Rot. Bonds6

About N-[[4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine

N-[[4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine (PubChem CID 66096186) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[[4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine
PubChem CID66096186
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[[4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine
SMILESCCCn1ncc(-c2ccc(CNCC)cc2)c1C
InChIInChI=1S/C16H23N3/c1-4-10-19-13(3)16(12-18-19)15-8-6-14(7-9-15)11-17-5-2/h6-9,12,17H,4-5,10-11H2,1-3H3
InChIKeyZLPAEZLXKMPOBB-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine (CID 66096186) is N-[[4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine is CCCn1ncc(-c2ccc(CNCC)cc2)c1C.
What is the InChIKey of N-[[4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine?
The InChIKey is ZLPAEZLXKMPOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-10-19-13(3)16(12-18-19)15-8-6-14(7-9-15)11-17-5-2/h6-9,12,17H,4-5,10-11H2,1-3H3.
What are the key properties of N-[[4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine?
N-[[4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 66096186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).