1-[4-(2-methylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine

C16H19N5 — CID 71857272

IUPAC1-[4-(2-methylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESCc1nccn1-c1ccc(C(C)NCc2ccn[nH]2)cc1
InChIInChI=1S/C16H19N5/c1-12(18-11-15-7-8-19-20-15)14-3-5-16(6-4-14)21-10-9-17-13(21)2/h3-10,12,18H,11H2,1-2H3,(H,19,20)
InChIKeyJRRREOAIFDLXTR-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.75
Rot. Bonds5

About 1-[4-(2-methylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine

1-[4-(2-methylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine (PubChem CID 71857272) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[4-(2-methylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-[4-(2-methylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine
PubChem CID71857272
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name1-[4-(2-methylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESCc1nccn1-c1ccc(C(C)NCc2ccn[nH]2)cc1
InChIInChI=1S/C16H19N5/c1-12(18-11-15-7-8-19-20-15)14-3-5-16(6-4-14)21-10-9-17-13(21)2/h3-10,12,18H,11H2,1-2H3,(H,19,20)
InChIKeyJRRREOAIFDLXTR-UHFFFAOYSA-N
XLogP2.75
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The IUPAC name of 1-[4-(2-methylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine (CID 71857272) is 1-[4-(2-methylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-[4-(2-methylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The canonical SMILES for 1-[4-(2-methylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine is Cc1nccn1-c1ccc(C(C)NCc2ccn[nH]2)cc1.
What is the InChIKey of 1-[4-(2-methylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The InChIKey is JRRREOAIFDLXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-12(18-11-15-7-8-19-20-15)14-3-5-16(6-4-14)21-10-9-17-13(21)2/h3-10,12,18H,11H2,1-2H3,(H,19,20).
What are the key properties of 1-[4-(2-methylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine?
1-[4-(2-methylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine has a molecular weight of 281.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylimidazol-1-yl)phenyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 71857272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).