1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carbonitrile

C10H11N5 — CID 63752682

IUPAC1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carbonitrile
SMILESCc1nn(C)c(-n2ccnc2C)c1C#N
InChIInChI=1S/C10H11N5/c1-7-9(6-11)10(14(3)13-7)15-5-4-12-8(15)2/h4-5H,1-3H3
InChIKeyOKXKTGMJBJXONR-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.09
Rot. Bonds1

About 1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carbonitrile

1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carbonitrile (PubChem CID 63752682) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carbonitrile
PubChem CID63752682
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carbonitrile
SMILESCc1nn(C)c(-n2ccnc2C)c1C#N
InChIInChI=1S/C10H11N5/c1-7-9(6-11)10(14(3)13-7)15-5-4-12-8(15)2/h4-5H,1-3H3
InChIKeyOKXKTGMJBJXONR-UHFFFAOYSA-N
XLogP1.09
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carbonitrile (CID 63752682) is 1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carbonitrile is Cc1nn(C)c(-n2ccnc2C)c1C#N.
What is the InChIKey of 1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carbonitrile?
The InChIKey is OKXKTGMJBJXONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c1-7-9(6-11)10(14(3)13-7)15-5-4-12-8(15)2/h4-5H,1-3H3.
What are the key properties of 1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carbonitrile?
1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carbonitrile has a molecular weight of 201.23 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 63752682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).