N-butyl-2-fluoro-N-(1-methylpyrazol-3-yl)prop-2-enamide

C11H16FN3O — CID 166430711

IUPACN-butyl-2-fluoro-N-(1-methylpyrazol-3-yl)prop-2-enamide
SMILESC=C(F)C(=O)N(CCCC)c1ccn(C)n1
InChIInChI=1S/C11H16FN3O/c1-4-5-7-15(11(16)9(2)12)10-6-8-14(3)13-10/h6,8H,2,4-5,7H2,1,3H3
InChIKeyRVGQLHUYCYHHDS-UHFFFAOYSA-N
MW225.27 g/mol
LogP2.04
Rot. Bonds5

About N-butyl-2-fluoro-N-(1-methylpyrazol-3-yl)prop-2-enamide

N-butyl-2-fluoro-N-(1-methylpyrazol-3-yl)prop-2-enamide (PubChem CID 166430711) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is N-butyl-2-fluoro-N-(1-methylpyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-butyl-2-fluoro-N-(1-methylpyrazol-3-yl)prop-2-enamide
PubChem CID166430711
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC NameN-butyl-2-fluoro-N-(1-methylpyrazol-3-yl)prop-2-enamide
SMILESC=C(F)C(=O)N(CCCC)c1ccn(C)n1
InChIInChI=1S/C11H16FN3O/c1-4-5-7-15(11(16)9(2)12)10-6-8-14(3)13-10/h6,8H,2,4-5,7H2,1,3H3
InChIKeyRVGQLHUYCYHHDS-UHFFFAOYSA-N
XLogP2.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-butyl-2-fluoro-N-(1-methylpyrazol-3-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-fluoro-N-(1-methylpyrazol-3-yl)prop-2-enamide?
The IUPAC name of N-butyl-2-fluoro-N-(1-methylpyrazol-3-yl)prop-2-enamide (CID 166430711) is N-butyl-2-fluoro-N-(1-methylpyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for N-butyl-2-fluoro-N-(1-methylpyrazol-3-yl)prop-2-enamide?
The canonical SMILES for N-butyl-2-fluoro-N-(1-methylpyrazol-3-yl)prop-2-enamide is C=C(F)C(=O)N(CCCC)c1ccn(C)n1.
What is the InChIKey of N-butyl-2-fluoro-N-(1-methylpyrazol-3-yl)prop-2-enamide?
The InChIKey is RVGQLHUYCYHHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-4-5-7-15(11(16)9(2)12)10-6-8-14(3)13-10/h6,8H,2,4-5,7H2,1,3H3.
What are the key properties of N-butyl-2-fluoro-N-(1-methylpyrazol-3-yl)prop-2-enamide?
N-butyl-2-fluoro-N-(1-methylpyrazol-3-yl)prop-2-enamide has a molecular weight of 225.27 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-fluoro-N-(1-methylpyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 166430711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).