2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-(2-methylpropyl)acetamide

C12H19N5O — CID 113405568

IUPAC2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCc1nn(C)c(NCC(=O)NCC(C)C)c1C#N
InChIInChI=1S/C12H19N5O/c1-8(2)6-14-11(18)7-15-12-10(5-13)9(3)16-17(12)4/h8,15H,6-7H2,1-4H3,(H,14,18)
InChIKeySVDIQYIINRADRL-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.78
Rot. Bonds5

About 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-(2-methylpropyl)acetamide

2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-(2-methylpropyl)acetamide (PubChem CID 113405568) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-(2-methylpropyl)acetamide
PubChem CID113405568
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-(2-methylpropyl)acetamide
SMILESCc1nn(C)c(NCC(=O)NCC(C)C)c1C#N
InChIInChI=1S/C12H19N5O/c1-8(2)6-14-11(18)7-15-12-10(5-13)9(3)16-17(12)4/h8,15H,6-7H2,1-4H3,(H,14,18)
InChIKeySVDIQYIINRADRL-UHFFFAOYSA-N
XLogP0.78
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-(2-methylpropyl)acetamide (CID 113405568) is 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-(2-methylpropyl)acetamide is Cc1nn(C)c(NCC(=O)NCC(C)C)c1C#N.
What is the InChIKey of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-(2-methylpropyl)acetamide?
The InChIKey is SVDIQYIINRADRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-8(2)6-14-11(18)7-15-12-10(5-13)9(3)16-17(12)4/h8,15H,6-7H2,1-4H3,(H,14,18).
What are the key properties of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-(2-methylpropyl)acetamide?
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-(2-methylpropyl)acetamide has a molecular weight of 249.32 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 113405568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).