N-(3-cyclopropyl-1-methylpyrazol-5-yl)butanamide

C11H17N3O — CID 134799178

IUPACN-(3-cyclopropyl-1-methylpyrazol-5-yl)butanamide
SMILESCCCC(=O)Nc1cc(C2CC2)nn1C
InChIInChI=1S/C11H17N3O/c1-3-4-11(15)12-10-7-9(8-5-6-8)13-14(10)2/h7-8H,3-6H2,1-2H3,(H,12,15)
InChIKeyKLIAUICZFSSUPV-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.04
Rot. Bonds4

About N-(3-cyclopropyl-1-methylpyrazol-5-yl)butanamide

N-(3-cyclopropyl-1-methylpyrazol-5-yl)butanamide (PubChem CID 134799178) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-methylpyrazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)butanamide
PubChem CID134799178
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)butanamide
SMILESCCCC(=O)Nc1cc(C2CC2)nn1C
InChIInChI=1S/C11H17N3O/c1-3-4-11(15)12-10-7-9(8-5-6-8)13-14(10)2/h7-8H,3-6H2,1-2H3,(H,12,15)
InChIKeyKLIAUICZFSSUPV-UHFFFAOYSA-N
XLogP2.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)butanamide?
The IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)butanamide (CID 134799178) is N-(3-cyclopropyl-1-methylpyrazol-5-yl)butanamide.
What is the SMILES notation for N-(3-cyclopropyl-1-methylpyrazol-5-yl)butanamide?
The canonical SMILES for N-(3-cyclopropyl-1-methylpyrazol-5-yl)butanamide is CCCC(=O)Nc1cc(C2CC2)nn1C.
What is the InChIKey of N-(3-cyclopropyl-1-methylpyrazol-5-yl)butanamide?
The InChIKey is KLIAUICZFSSUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-4-11(15)12-10-7-9(8-5-6-8)13-14(10)2/h7-8H,3-6H2,1-2H3,(H,12,15).
What are the key properties of N-(3-cyclopropyl-1-methylpyrazol-5-yl)butanamide?
N-(3-cyclopropyl-1-methylpyrazol-5-yl)butanamide has a molecular weight of 207.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-methylpyrazol-5-yl)butanamide is sourced from PubChem (CID 134799178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).