5-[bis(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carbonitrile

C14H24N4 — CID 55241542

IUPAC5-[bis(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(N(CC(C)C)CC(C)C)c1C#N
InChIInChI=1S/C14H24N4/c1-10(2)8-18(9-11(3)4)14-13(7-15)12(5)16-17(14)6/h10-11H,8-9H2,1-6H3
InChIKeyUWQMFAMTGPFBHR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.72
Rot. Bonds5

About 5-[bis(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carbonitrile

5-[bis(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 55241542) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-[bis(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[bis(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID55241542
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name5-[bis(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(N(CC(C)C)CC(C)C)c1C#N
InChIInChI=1S/C14H24N4/c1-10(2)8-18(9-11(3)4)14-13(7-15)12(5)16-17(14)6/h10-11H,8-9H2,1-6H3
InChIKeyUWQMFAMTGPFBHR-UHFFFAOYSA-N
XLogP2.72
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[bis(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-[bis(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carbonitrile (CID 55241542) is 5-[bis(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[bis(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[bis(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carbonitrile is Cc1nn(C)c(N(CC(C)C)CC(C)C)c1C#N.
What is the InChIKey of 5-[bis(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is UWQMFAMTGPFBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-10(2)8-18(9-11(3)4)14-13(7-15)12(5)16-17(14)6/h10-11H,8-9H2,1-6H3.
What are the key properties of 5-[bis(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
5-[bis(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 248.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 55241542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).