2-pyrazol-1-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine

C18H20N4O3 — CID 75415259

IUPAC2-pyrazol-1-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
SMILESCOc1ccc(CNc2cccnc2-n2cccn2)c(OC)c1OC
InChIInChI=1S/C18H20N4O3/c1-23-15-8-7-13(16(24-2)17(15)25-3)12-20-14-6-4-9-19-18(14)22-11-5-10-21-22/h4-11,20H,12H2,1-3H3
InChIKeyOMBCWOHGHLOICH-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.91
Rot. Bonds7

About 2-pyrazol-1-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine

2-pyrazol-1-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine (PubChem CID 75415259) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-pyrazol-1-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
PubChem CID75415259
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-pyrazol-1-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
SMILESCOc1ccc(CNc2cccnc2-n2cccn2)c(OC)c1OC
InChIInChI=1S/C18H20N4O3/c1-23-15-8-7-13(16(24-2)17(15)25-3)12-20-14-6-4-9-19-18(14)22-11-5-10-21-22/h4-11,20H,12H2,1-3H3
InChIKeyOMBCWOHGHLOICH-UHFFFAOYSA-N
XLogP2.91
TPSA70.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine?
The IUPAC name of 2-pyrazol-1-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine (CID 75415259) is 2-pyrazol-1-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-pyrazol-1-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 2-pyrazol-1-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine is COc1ccc(CNc2cccnc2-n2cccn2)c(OC)c1OC.
What is the InChIKey of 2-pyrazol-1-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine?
The InChIKey is OMBCWOHGHLOICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-23-15-8-7-13(16(24-2)17(15)25-3)12-20-14-6-4-9-19-18(14)22-11-5-10-21-22/h4-11,20H,12H2,1-3H3.
What are the key properties of 2-pyrazol-1-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine?
2-pyrazol-1-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine has a molecular weight of 340.38 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 75415259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).