2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile

C18H21N7 — CID 56863421

IUPAC2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile
SMILESCCCn1cc(-c2cc(-c3cc(CC)[nH]n3)c(C#N)c(N)n2)c(C)n1
InChIInChI=1S/C18H21N7/c1-4-6-25-10-15(11(3)24-25)16-8-13(14(9-19)18(20)21-16)17-7-12(5-2)22-23-17/h7-8,10H,4-6H2,1-3H3,(H2,20,21)(H,22,23)
InChIKeyYIYJZLNMBVPQTF-UHFFFAOYSA-N
MW335.42 g/mol
LogP3.07
Rot. Bonds5

About 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile

2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile (PubChem CID 56863421) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile
PubChem CID56863421
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile
SMILESCCCn1cc(-c2cc(-c3cc(CC)[nH]n3)c(C#N)c(N)n2)c(C)n1
InChIInChI=1S/C18H21N7/c1-4-6-25-10-15(11(3)24-25)16-8-13(14(9-19)18(20)21-16)17-7-12(5-2)22-23-17/h7-8,10H,4-6H2,1-3H3,(H2,20,21)(H,22,23)
InChIKeyYIYJZLNMBVPQTF-UHFFFAOYSA-N
XLogP3.07
TPSA109.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile (CID 56863421) is 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile is CCCn1cc(-c2cc(-c3cc(CC)[nH]n3)c(C#N)c(N)n2)c(C)n1.
What is the InChIKey of 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile?
The InChIKey is YIYJZLNMBVPQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-4-6-25-10-15(11(3)24-25)16-8-13(14(9-19)18(20)21-16)17-7-12(5-2)22-23-17/h7-8,10H,4-6H2,1-3H3,(H2,20,21)(H,22,23).
What are the key properties of 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile?
2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile has a molecular weight of 335.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-(3-methyl-1-propylpyrazol-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56863421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).