(2S)-1-(4-methylpyrazol-1-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine

C20H24N4O — CID 95289236

IUPAC(2S)-1-(4-methylpyrazol-1-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCc1cnn(C[C@H](C)NCc2cccc(OCc3ccccn3)c2)c1
InChIInChI=1S/C20H24N4O/c1-16-11-23-24(13-16)14-17(2)22-12-18-6-5-8-20(10-18)25-15-19-7-3-4-9-21-19/h3-11,13,17,22H,12,14-15H2,1-2H3/t17-/m0/s1
InChIKeyLDGOKMNESBQTRG-KRWDZBQOSA-N
MW336.44 g/mol
LogP3.34
Rot. Bonds8

About (2S)-1-(4-methylpyrazol-1-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine

(2S)-1-(4-methylpyrazol-1-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine (PubChem CID 95289236) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (2S)-1-(4-methylpyrazol-1-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-methylpyrazol-1-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine
PubChem CID95289236
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(2S)-1-(4-methylpyrazol-1-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCc1cnn(C[C@H](C)NCc2cccc(OCc3ccccn3)c2)c1
InChIInChI=1S/C20H24N4O/c1-16-11-23-24(13-16)14-17(2)22-12-18-6-5-8-20(10-18)25-15-19-7-3-4-9-21-19/h3-11,13,17,22H,12,14-15H2,1-2H3/t17-/m0/s1
InChIKeyLDGOKMNESBQTRG-KRWDZBQOSA-N
XLogP3.34
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylpyrazol-1-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of (2S)-1-(4-methylpyrazol-1-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine (CID 95289236) is (2S)-1-(4-methylpyrazol-1-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for (2S)-1-(4-methylpyrazol-1-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for (2S)-1-(4-methylpyrazol-1-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine is Cc1cnn(C[C@H](C)NCc2cccc(OCc3ccccn3)c2)c1.
What is the InChIKey of (2S)-1-(4-methylpyrazol-1-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is LDGOKMNESBQTRG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N4O/c1-16-11-23-24(13-16)14-17(2)22-12-18-6-5-8-20(10-18)25-15-19-7-3-4-9-21-19/h3-11,13,17,22H,12,14-15H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-1-(4-methylpyrazol-1-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine?
(2S)-1-(4-methylpyrazol-1-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 336.44 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylpyrazol-1-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 95289236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).