2-[3-[4-(aminomethyl)phenyl]-5-methoxypyrazol-1-yl]-N,N-diethylethanamine

C17H26N4O — CID 175276014

IUPAC2-[3-[4-(aminomethyl)phenyl]-5-methoxypyrazol-1-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCn1nc(-c2ccc(CN)cc2)cc1OC
InChIInChI=1S/C17H26N4O/c1-4-20(5-2)10-11-21-17(22-3)12-16(19-21)15-8-6-14(13-18)7-9-15/h6-9,12H,4-5,10-11,13,18H2,1-3H3
InChIKeyFNODMIPSXRMEHE-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.36
Rot. Bonds8

About 2-[3-[4-(aminomethyl)phenyl]-5-methoxypyrazol-1-yl]-N,N-diethylethanamine

2-[3-[4-(aminomethyl)phenyl]-5-methoxypyrazol-1-yl]-N,N-diethylethanamine (PubChem CID 175276014) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[3-[4-(aminomethyl)phenyl]-5-methoxypyrazol-1-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[3-[4-(aminomethyl)phenyl]-5-methoxypyrazol-1-yl]-N,N-diethylethanamine
PubChem CID175276014
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-[3-[4-(aminomethyl)phenyl]-5-methoxypyrazol-1-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCn1nc(-c2ccc(CN)cc2)cc1OC
InChIInChI=1S/C17H26N4O/c1-4-20(5-2)10-11-21-17(22-3)12-16(19-21)15-8-6-14(13-18)7-9-15/h6-9,12H,4-5,10-11,13,18H2,1-3H3
InChIKeyFNODMIPSXRMEHE-UHFFFAOYSA-N
XLogP2.36
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(aminomethyl)phenyl]-5-methoxypyrazol-1-yl]-N,N-diethylethanamine?
The IUPAC name of 2-[3-[4-(aminomethyl)phenyl]-5-methoxypyrazol-1-yl]-N,N-diethylethanamine (CID 175276014) is 2-[3-[4-(aminomethyl)phenyl]-5-methoxypyrazol-1-yl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[3-[4-(aminomethyl)phenyl]-5-methoxypyrazol-1-yl]-N,N-diethylethanamine?
The canonical SMILES for 2-[3-[4-(aminomethyl)phenyl]-5-methoxypyrazol-1-yl]-N,N-diethylethanamine is CCN(CC)CCn1nc(-c2ccc(CN)cc2)cc1OC.
What is the InChIKey of 2-[3-[4-(aminomethyl)phenyl]-5-methoxypyrazol-1-yl]-N,N-diethylethanamine?
The InChIKey is FNODMIPSXRMEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-4-20(5-2)10-11-21-17(22-3)12-16(19-21)15-8-6-14(13-18)7-9-15/h6-9,12H,4-5,10-11,13,18H2,1-3H3.
What are the key properties of 2-[3-[4-(aminomethyl)phenyl]-5-methoxypyrazol-1-yl]-N,N-diethylethanamine?
2-[3-[4-(aminomethyl)phenyl]-5-methoxypyrazol-1-yl]-N,N-diethylethanamine has a molecular weight of 302.42 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(aminomethyl)phenyl]-5-methoxypyrazol-1-yl]-N,N-diethylethanamine is sourced from PubChem (CID 175276014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).