3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide

C11H17N5O — CID 106096716

IUPAC3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide
SMILESCc1nn(C)c(NC(C)(C)CC(N)=O)c1C#N
InChIInChI=1S/C11H17N5O/c1-7-8(6-12)10(16(4)15-7)14-11(2,3)5-9(13)17/h14H,5H2,1-4H3,(H2,13,17)
InChIKeyFIUBNMJOALFWJN-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.67
Rot. Bonds4

About 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide

3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide (PubChem CID 106096716) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide
PubChem CID106096716
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide
SMILESCc1nn(C)c(NC(C)(C)CC(N)=O)c1C#N
InChIInChI=1S/C11H17N5O/c1-7-8(6-12)10(16(4)15-7)14-11(2,3)5-9(13)17/h14H,5H2,1-4H3,(H2,13,17)
InChIKeyFIUBNMJOALFWJN-UHFFFAOYSA-N
XLogP0.67
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide (CID 106096716) is 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide is Cc1nn(C)c(NC(C)(C)CC(N)=O)c1C#N.
What is the InChIKey of 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide?
The InChIKey is FIUBNMJOALFWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-7-8(6-12)10(16(4)15-7)14-11(2,3)5-9(13)17/h14H,5H2,1-4H3,(H2,13,17).
What are the key properties of 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide?
3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide has a molecular weight of 235.29 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 106096716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).