2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(3-methylphenyl)pyridine-3-carbonitrile

C20H21N5O — CID 56744874

IUPAC2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(3-methylphenyl)pyridine-3-carbonitrile
SMILESCc1cccc(-c2cc(-c3c(C)nn(CCO)c3C)c(C#N)c(N)n2)c1
InChIInChI=1S/C20H21N5O/c1-12-5-4-6-15(9-12)18-10-16(17(11-21)20(22)23-18)19-13(2)24-25(7-8-26)14(19)3/h4-6,9-10,26H,7-8H2,1-3H3,(H2,22,23)
InChIKeyQBGUWPPOEDWPOY-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.98
Rot. Bonds4

About 2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(3-methylphenyl)pyridine-3-carbonitrile

2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(3-methylphenyl)pyridine-3-carbonitrile (PubChem CID 56744874) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(3-methylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(3-methylphenyl)pyridine-3-carbonitrile
PubChem CID56744874
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(3-methylphenyl)pyridine-3-carbonitrile
SMILESCc1cccc(-c2cc(-c3c(C)nn(CCO)c3C)c(C#N)c(N)n2)c1
InChIInChI=1S/C20H21N5O/c1-12-5-4-6-15(9-12)18-10-16(17(11-21)20(22)23-18)19-13(2)24-25(7-8-26)14(19)3/h4-6,9-10,26H,7-8H2,1-3H3,(H2,22,23)
InChIKeyQBGUWPPOEDWPOY-UHFFFAOYSA-N
XLogP2.98
TPSA100.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(3-methylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(3-methylphenyl)pyridine-3-carbonitrile (CID 56744874) is 2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(3-methylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(3-methylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(3-methylphenyl)pyridine-3-carbonitrile is Cc1cccc(-c2cc(-c3c(C)nn(CCO)c3C)c(C#N)c(N)n2)c1.
What is the InChIKey of 2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(3-methylphenyl)pyridine-3-carbonitrile?
The InChIKey is QBGUWPPOEDWPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-12-5-4-6-15(9-12)18-10-16(17(11-21)20(22)23-18)19-13(2)24-25(7-8-26)14(19)3/h4-6,9-10,26H,7-8H2,1-3H3,(H2,22,23).
What are the key properties of 2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(3-methylphenyl)pyridine-3-carbonitrile?
2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(3-methylphenyl)pyridine-3-carbonitrile has a molecular weight of 347.42 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(3-methylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 56744874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).