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

C20H21N5O — CID 56755613

IUPAC2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3c(C)nn(CCO)c3C)c(C#N)c(N)n2)cc1
InChIInChI=1S/C20H21N5O/c1-12-4-6-15(7-5-12)18-10-16(17(11-21)20(22)23-18)19-13(2)24-25(8-9-26)14(19)3/h4-7,10,26H,8-9H2,1-3H3,(H2,22,23)
InChIKeyDTQKJOOTIPFNMW-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.98
Rot. Bonds4

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

2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(4-methylphenyl)pyridine-3-carbonitrile (PubChem CID 56755613) 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-(4-methylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(4-methylphenyl)pyridine-3-carbonitrile
PubChem CID56755613
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3c(C)nn(CCO)c3C)c(C#N)c(N)n2)cc1
InChIInChI=1S/C20H21N5O/c1-12-4-6-15(7-5-12)18-10-16(17(11-21)20(22)23-18)19-13(2)24-25(8-9-26)14(19)3/h4-7,10,26H,8-9H2,1-3H3,(H2,22,23)
InChIKeyDTQKJOOTIPFNMW-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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Related Compounds

2-{[6-(3,5-diphenyl-1H-pyrazol-1-yl)pyrimidin-4-yl]amino}ethanol
CID 3236972
2-Amino-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridine-3-carbonitrile
CID 78318142
2-((2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl)(methyl)amino)ethanol
CID 7646802
US10287286, Example 102
CID 122540575
US10287286, Example 110
CID 122540646
2-[5-amino-3-(4-propylphenyl)-1H-pyrazol-1-yl]ethan-1-ol
CID 16228338
6-[4-[2-(2-Hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 51104281
2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazol-4-yl]-6-(3-methylphenyl)nicotinonitrile
CID 56744874
2-amino-4-(5-cyclopropyl-1-methyl-1H-pyrazol-4-yl)-6-isopropylnicotinonitrile
CID 56749788
2-amino-6-tert-butyl-4-[1-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazol-4-yl]nicotinonitrile
CID 56861912
2-amino-6-(1,1-dimethylpropyl)-4-[1-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazol-4-yl]nicotinonitrile
CID 56873252
3-(1,5-Dimethylpyrazol-4-yl)-5-(4-methylphenyl)pyridin-2-amine
CID 137649333

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(4-methylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(4-methylphenyl)pyridine-3-carbonitrile (CID 56755613) is 2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(4-methylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(4-methylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(4-methylphenyl)pyridine-3-carbonitrile is Cc1ccc(-c2cc(-c3c(C)nn(CCO)c3C)c(C#N)c(N)n2)cc1.
What is the InChIKey of 2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(4-methylphenyl)pyridine-3-carbonitrile?
The InChIKey is DTQKJOOTIPFNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-12-4-6-15(7-5-12)18-10-16(17(11-21)20(22)23-18)19-13(2)24-25(8-9-26)14(19)3/h4-7,10,26H,8-9H2,1-3H3,(H2,22,23).
What are the key properties of 2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(4-methylphenyl)pyridine-3-carbonitrile?
2-amino-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-6-(4-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-(4-methylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 56755613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).