1,3-dimethyl-5-[methyl(pentan-2-yl)amino]pyrazole-4-carbonitrile

C12H20N4 — CID 55241157

IUPAC1,3-dimethyl-5-[methyl(pentan-2-yl)amino]pyrazole-4-carbonitrile
SMILESCCCC(C)N(C)c1c(C#N)c(C)nn1C
InChIInChI=1S/C12H20N4/c1-6-7-9(2)15(4)12-11(8-13)10(3)14-16(12)5/h9H,6-7H2,1-5H3
InChIKeyZHSXJNLHSKHAMN-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.22
Rot. Bonds4

About 1,3-dimethyl-5-[methyl(pentan-2-yl)amino]pyrazole-4-carbonitrile

1,3-dimethyl-5-[methyl(pentan-2-yl)amino]pyrazole-4-carbonitrile (PubChem CID 55241157) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1,3-dimethyl-5-[methyl(pentan-2-yl)amino]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5-[methyl(pentan-2-yl)amino]pyrazole-4-carbonitrile
PubChem CID55241157
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1,3-dimethyl-5-[methyl(pentan-2-yl)amino]pyrazole-4-carbonitrile
SMILESCCCC(C)N(C)c1c(C#N)c(C)nn1C
InChIInChI=1S/C12H20N4/c1-6-7-9(2)15(4)12-11(8-13)10(3)14-16(12)5/h9H,6-7H2,1-5H3
InChIKeyZHSXJNLHSKHAMN-UHFFFAOYSA-N
XLogP2.22
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[methyl(pentan-2-yl)amino]pyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5-[methyl(pentan-2-yl)amino]pyrazole-4-carbonitrile (CID 55241157) is 1,3-dimethyl-5-[methyl(pentan-2-yl)amino]pyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5-[methyl(pentan-2-yl)amino]pyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5-[methyl(pentan-2-yl)amino]pyrazole-4-carbonitrile is CCCC(C)N(C)c1c(C#N)c(C)nn1C.
What is the InChIKey of 1,3-dimethyl-5-[methyl(pentan-2-yl)amino]pyrazole-4-carbonitrile?
The InChIKey is ZHSXJNLHSKHAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-6-7-9(2)15(4)12-11(8-13)10(3)14-16(12)5/h9H,6-7H2,1-5H3.
What are the key properties of 1,3-dimethyl-5-[methyl(pentan-2-yl)amino]pyrazole-4-carbonitrile?
1,3-dimethyl-5-[methyl(pentan-2-yl)amino]pyrazole-4-carbonitrile has a molecular weight of 220.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[methyl(pentan-2-yl)amino]pyrazole-4-carbonitrile is sourced from PubChem (CID 55241157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).