5-(4-methylphenyl)-1-pyrimidin-2-ylpyrazole-3-carbonitrile

C15H11N5 — CID 39361106

IUPAC5-(4-methylphenyl)-1-pyrimidin-2-ylpyrazole-3-carbonitrile
SMILESCc1ccc(-c2cc(C#N)nn2-c2ncccn2)cc1
InChIInChI=1S/C15H11N5/c1-11-3-5-12(6-4-11)14-9-13(10-16)19-20(14)15-17-7-2-8-18-15/h2-9H,1H3
InChIKeyFAUIAEWDZLUMRX-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.51
Rot. Bonds2

About 5-(4-methylphenyl)-1-pyrimidin-2-ylpyrazole-3-carbonitrile

5-(4-methylphenyl)-1-pyrimidin-2-ylpyrazole-3-carbonitrile (PubChem CID 39361106) has the molecular formula C15H11N5 and a molecular weight of 261.29 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1-pyrimidin-2-ylpyrazole-3-carbonitrile.

Molecular Properties

Compound Name5-(4-methylphenyl)-1-pyrimidin-2-ylpyrazole-3-carbonitrile
PubChem CID39361106
Molecular FormulaC15H11N5
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC Name5-(4-methylphenyl)-1-pyrimidin-2-ylpyrazole-3-carbonitrile
SMILESCc1ccc(-c2cc(C#N)nn2-c2ncccn2)cc1
InChIInChI=1S/C15H11N5/c1-11-3-5-12(6-4-11)14-9-13(10-16)19-20(14)15-17-7-2-8-18-15/h2-9H,1H3
InChIKeyFAUIAEWDZLUMRX-UHFFFAOYSA-N
XLogP2.51
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-1-pyrimidin-2-ylpyrazole-3-carbonitrile?
The IUPAC name of 5-(4-methylphenyl)-1-pyrimidin-2-ylpyrazole-3-carbonitrile (CID 39361106) is 5-(4-methylphenyl)-1-pyrimidin-2-ylpyrazole-3-carbonitrile.
What is the SMILES notation for 5-(4-methylphenyl)-1-pyrimidin-2-ylpyrazole-3-carbonitrile?
The canonical SMILES for 5-(4-methylphenyl)-1-pyrimidin-2-ylpyrazole-3-carbonitrile is Cc1ccc(-c2cc(C#N)nn2-c2ncccn2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1-pyrimidin-2-ylpyrazole-3-carbonitrile?
The InChIKey is FAUIAEWDZLUMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5/c1-11-3-5-12(6-4-11)14-9-13(10-16)19-20(14)15-17-7-2-8-18-15/h2-9H,1H3.
What are the key properties of 5-(4-methylphenyl)-1-pyrimidin-2-ylpyrazole-3-carbonitrile?
5-(4-methylphenyl)-1-pyrimidin-2-ylpyrazole-3-carbonitrile has a molecular weight of 261.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-1-pyrimidin-2-ylpyrazole-3-carbonitrile is sourced from PubChem (CID 39361106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).