N-(3,5-dimethoxyphenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine

C17H18N4O2 — CID 157012323

IUPACN-(3,5-dimethoxyphenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine
SMILESCOc1cc(Nc2cc(-c3cccnc3)nn2C)cc(OC)c1
InChIInChI=1S/C17H18N4O2/c1-21-17(10-16(20-21)12-5-4-6-18-11-12)19-13-7-14(22-2)9-15(8-13)23-3/h4-11,19H,1-3H3
InChIKeyGACULWGXYHXNNG-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.24
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine

N-(3,5-dimethoxyphenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine (PubChem CID 157012323) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine
PubChem CID157012323
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(3,5-dimethoxyphenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine
SMILESCOc1cc(Nc2cc(-c3cccnc3)nn2C)cc(OC)c1
InChIInChI=1S/C17H18N4O2/c1-21-17(10-16(20-21)12-5-4-6-18-11-12)19-13-7-14(22-2)9-15(8-13)23-3/h4-11,19H,1-3H3
InChIKeyGACULWGXYHXNNG-UHFFFAOYSA-N
XLogP3.24
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine (CID 157012323) is N-(3,5-dimethoxyphenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine is COc1cc(Nc2cc(-c3cccnc3)nn2C)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine?
The InChIKey is GACULWGXYHXNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-21-17(10-16(20-21)12-5-4-6-18-11-12)19-13-7-14(22-2)9-15(8-13)23-3/h4-11,19H,1-3H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine?
N-(3,5-dimethoxyphenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine has a molecular weight of 310.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine is sourced from PubChem (CID 157012323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).