N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-3-methylbutanamide

C17H21N3O2 — CID 712899

IUPACN-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-3-methylbutanamide
SMILESCc1cc(C)n(C(=O)c2ccc(NC(=O)CC(C)C)cc2)n1
InChIInChI=1S/C17H21N3O2/c1-11(2)9-16(21)18-15-7-5-14(6-8-15)17(22)20-13(4)10-12(3)19-20/h5-8,10-11H,9H2,1-4H3,(H,18,21)
InChIKeyBNAULTJNNYKXEW-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.17
Rot. Bonds4

About N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-3-methylbutanamide

N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-3-methylbutanamide (PubChem CID 712899) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-3-methylbutanamide
PubChem CID712899
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-3-methylbutanamide
SMILESCc1cc(C)n(C(=O)c2ccc(NC(=O)CC(C)C)cc2)n1
InChIInChI=1S/C17H21N3O2/c1-11(2)9-16(21)18-15-7-5-14(6-8-15)17(22)20-13(4)10-12(3)19-20/h5-8,10-11H,9H2,1-4H3,(H,18,21)
InChIKeyBNAULTJNNYKXEW-UHFFFAOYSA-N
XLogP3.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-3-methylbutanamide (CID 712899) is N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-3-methylbutanamide is Cc1cc(C)n(C(=O)c2ccc(NC(=O)CC(C)C)cc2)n1.
What is the InChIKey of N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-3-methylbutanamide?
The InChIKey is BNAULTJNNYKXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11(2)9-16(21)18-15-7-5-14(6-8-15)17(22)20-13(4)10-12(3)19-20/h5-8,10-11H,9H2,1-4H3,(H,18,21).
What are the key properties of N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-3-methylbutanamide?
N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-3-methylbutanamide has a molecular weight of 299.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 712899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).