2-cyano-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-propylpentanamide

C15H24N4O — CID 115990104

IUPAC2-cyano-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NCc1cn(C)nc1C
InChIInChI=1S/C15H24N4O/c1-5-7-15(11-16,8-6-2)14(20)17-9-13-10-19(4)18-12(13)3/h10H,5-9H2,1-4H3,(H,17,20)
InChIKeyLMZSXAZBBDBHGW-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.45
Rot. Bonds7

About 2-cyano-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-propylpentanamide

2-cyano-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-propylpentanamide (PubChem CID 115990104) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-cyano-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-propylpentanamide.

Molecular Properties

Compound Name2-cyano-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-propylpentanamide
PubChem CID115990104
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-cyano-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NCc1cn(C)nc1C
InChIInChI=1S/C15H24N4O/c1-5-7-15(11-16,8-6-2)14(20)17-9-13-10-19(4)18-12(13)3/h10H,5-9H2,1-4H3,(H,17,20)
InChIKeyLMZSXAZBBDBHGW-UHFFFAOYSA-N
XLogP2.45
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]-2-methylpentanoic acid
CID 115991321
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
CID 42352342
N-(cyanomethyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetamide
CID 112669044
2-cyano-N-[(2,4-difluorophenyl)methyl]-2-propylpentanamide
CID 62228143
(1,3-dimethylpyrazol-4-yl)methylcyanamide
CID 112669054
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-1-ol
CID 109482003
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-2-ol
CID 115767901
2-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide
CID 112668685
2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetonitrile
CID 112669035
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393
2-(4-chloro-3-methylpyrazol-1-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide
CID 19533950

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-propylpentanamide?
The IUPAC name of 2-cyano-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-propylpentanamide (CID 115990104) is 2-cyano-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-propylpentanamide.
What is the SMILES notation for 2-cyano-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-propylpentanamide?
The canonical SMILES for 2-cyano-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-propylpentanamide is CCCC(C#N)(CCC)C(=O)NCc1cn(C)nc1C.
What is the InChIKey of 2-cyano-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-propylpentanamide?
The InChIKey is LMZSXAZBBDBHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-5-7-15(11-16,8-6-2)14(20)17-9-13-10-19(4)18-12(13)3/h10H,5-9H2,1-4H3,(H,17,20).
What are the key properties of 2-cyano-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-propylpentanamide?
2-cyano-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-propylpentanamide has a molecular weight of 276.38 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-propylpentanamide is sourced from PubChem (CID 115990104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).