N-(1-cyanobutan-2-yl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide

C14H22N4O — CID 127264834

IUPACN-(1-cyanobutan-2-yl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
SMILESCCC(CC#N)NC(=O)CC(C)c1c(C)n[nH]c1C
InChIInChI=1S/C14H22N4O/c1-5-12(6-7-15)16-13(19)8-9(2)14-10(3)17-18-11(14)4/h9,12H,5-6,8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyKNAQFTNKNCKNPQ-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.33
Rot. Bonds6

About N-(1-cyanobutan-2-yl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide

N-(1-cyanobutan-2-yl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide (PubChem CID 127264834) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(1-cyanobutan-2-yl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound NameN-(1-cyanobutan-2-yl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
PubChem CID127264834
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-(1-cyanobutan-2-yl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
SMILESCCC(CC#N)NC(=O)CC(C)c1c(C)n[nH]c1C
InChIInChI=1S/C14H22N4O/c1-5-12(6-7-15)16-13(19)8-9(2)14-10(3)17-18-11(14)4/h9,12H,5-6,8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyKNAQFTNKNCKNPQ-UHFFFAOYSA-N
XLogP2.33
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutan-2-yl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide?
The IUPAC name of N-(1-cyanobutan-2-yl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide (CID 127264834) is N-(1-cyanobutan-2-yl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for N-(1-cyanobutan-2-yl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide?
The canonical SMILES for N-(1-cyanobutan-2-yl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide is CCC(CC#N)NC(=O)CC(C)c1c(C)n[nH]c1C.
What is the InChIKey of N-(1-cyanobutan-2-yl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide?
The InChIKey is KNAQFTNKNCKNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-5-12(6-7-15)16-13(19)8-9(2)14-10(3)17-18-11(14)4/h9,12H,5-6,8H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of N-(1-cyanobutan-2-yl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide?
N-(1-cyanobutan-2-yl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide has a molecular weight of 262.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutan-2-yl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 127264834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).