5-(2-methyl-3-pyridinyl)-1H-pyrazole-4-carbonitrile

C10H8N4 — CID 67841089

IUPAC5-(2-methyl-3-pyridinyl)-1H-pyrazole-4-carbonitrile
SMILESCc1ncccc1-c1[nH]ncc1C#N
InChIInChI=1S/C10H8N4/c1-7-9(3-2-4-12-7)10-8(5-11)6-13-14-10/h2-4,6H,1H3,(H,13,14)
InChIKeyMLHDTWVBHPHBSC-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.65
Rot. Bonds1

About 5-(2-methyl-3-pyridinyl)-1H-pyrazole-4-carbonitrile

5-(2-methyl-3-pyridinyl)-1H-pyrazole-4-carbonitrile (PubChem CID 67841089) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 5-(2-methyl-3-pyridinyl)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2-methyl-3-pyridinyl)-1H-pyrazole-4-carbonitrile
PubChem CID67841089
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name5-(2-methyl-3-pyridinyl)-1H-pyrazole-4-carbonitrile
SMILESCc1ncccc1-c1[nH]ncc1C#N
InChIInChI=1S/C10H8N4/c1-7-9(3-2-4-12-7)10-8(5-11)6-13-14-10/h2-4,6H,1H3,(H,13,14)
InChIKeyMLHDTWVBHPHBSC-UHFFFAOYSA-N
XLogP1.65
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-3-pyridinyl)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-(2-methyl-3-pyridinyl)-1H-pyrazole-4-carbonitrile (CID 67841089) is 5-(2-methyl-3-pyridinyl)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-(2-methyl-3-pyridinyl)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-(2-methyl-3-pyridinyl)-1H-pyrazole-4-carbonitrile is Cc1ncccc1-c1[nH]ncc1C#N.
What is the InChIKey of 5-(2-methyl-3-pyridinyl)-1H-pyrazole-4-carbonitrile?
The InChIKey is MLHDTWVBHPHBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c1-7-9(3-2-4-12-7)10-8(5-11)6-13-14-10/h2-4,6H,1H3,(H,13,14).
What are the key properties of 5-(2-methyl-3-pyridinyl)-1H-pyrazole-4-carbonitrile?
5-(2-methyl-3-pyridinyl)-1H-pyrazole-4-carbonitrile has a molecular weight of 184.20 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-3-pyridinyl)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 67841089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).