1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine

C18H23N5O — CID 71916221

IUPAC1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2ccnn2C)cc1Cn1cccn1
InChIInChI=1S/C18H23N5O/c1-14(19-12-17-7-9-20-22(17)2)15-5-6-18(24-3)16(11-15)13-23-10-4-8-21-23/h4-11,14,19H,12-13H2,1-3H3
InChIKeyQKTSWKSGNLKYNX-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.52
Rot. Bonds7

About 1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine

1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 71916221) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID71916221
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2ccnn2C)cc1Cn1cccn1
InChIInChI=1S/C18H23N5O/c1-14(19-12-17-7-9-20-22(17)2)15-5-6-18(24-3)16(11-15)13-23-10-4-8-21-23/h4-11,14,19H,12-13H2,1-3H3
InChIKeyQKTSWKSGNLKYNX-UHFFFAOYSA-N
XLogP2.52
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (CID 71916221) is 1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is COc1ccc(C(C)NCc2ccnn2C)cc1Cn1cccn1.
What is the InChIKey of 1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is QKTSWKSGNLKYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-14(19-12-17-7-9-20-22(17)2)15-5-6-18(24-3)16(11-15)13-23-10-4-8-21-23/h4-11,14,19H,12-13H2,1-3H3.
What are the key properties of 1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 325.42 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 71916221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).