2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-propan-2-ylpyridine-3-carbonitrile

C14H17N5 — CID 56744480

IUPAC2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-propan-2-ylpyridine-3-carbonitrile
SMILESCCc1cc(-c2cc(C(C)C)nc(N)c2C#N)n[nH]1
InChIInChI=1S/C14H17N5/c1-4-9-5-13(19-18-9)10-6-12(8(2)3)17-14(16)11(10)7-15/h5-6,8H,4H2,1-3H3,(H2,16,17)(H,18,19)
InChIKeyMQHXSANWDIJNTE-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.61
Rot. Bonds3

About 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-propan-2-ylpyridine-3-carbonitrile

2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-propan-2-ylpyridine-3-carbonitrile (PubChem CID 56744480) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-propan-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-propan-2-ylpyridine-3-carbonitrile
PubChem CID56744480
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-propan-2-ylpyridine-3-carbonitrile
SMILESCCc1cc(-c2cc(C(C)C)nc(N)c2C#N)n[nH]1
InChIInChI=1S/C14H17N5/c1-4-9-5-13(19-18-9)10-6-12(8(2)3)17-14(16)11(10)7-15/h5-6,8H,4H2,1-3H3,(H2,16,17)(H,18,19)
InChIKeyMQHXSANWDIJNTE-UHFFFAOYSA-N
XLogP2.61
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-propan-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-propan-2-ylpyridine-3-carbonitrile (CID 56744480) is 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-propan-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-propan-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-propan-2-ylpyridine-3-carbonitrile is CCc1cc(-c2cc(C(C)C)nc(N)c2C#N)n[nH]1.
What is the InChIKey of 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-propan-2-ylpyridine-3-carbonitrile?
The InChIKey is MQHXSANWDIJNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-4-9-5-13(19-18-9)10-6-12(8(2)3)17-14(16)11(10)7-15/h5-6,8H,4H2,1-3H3,(H2,16,17)(H,18,19).
What are the key properties of 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-propan-2-ylpyridine-3-carbonitrile?
2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-propan-2-ylpyridine-3-carbonitrile has a molecular weight of 255.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-6-propan-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 56744480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).