(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide

C10H13F2N3O2 — CID 103770382

IUPAC(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
SMILESCn1nccc1/C=C/C(=O)NCC(O)C(F)F
InChIInChI=1S/C10H13F2N3O2/c1-15-7(4-5-14-15)2-3-9(17)13-6-8(16)10(11)12/h2-5,8,10,16H,6H2,1H3,(H,13,17)/b3-2+
InChIKeyCFECJWLBPWZCKR-NSCUHMNNSA-N
MW245.23 g/mol
LogP0.18
Rot. Bonds5

About (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide

(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide (PubChem CID 103770382) has the molecular formula C10H13F2N3O2 and a molecular weight of 245.23 g/mol. Its IUPAC name is (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
PubChem CID103770382
Molecular FormulaC10H13F2N3O2
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
SMILESCn1nccc1/C=C/C(=O)NCC(O)C(F)F
InChIInChI=1S/C10H13F2N3O2/c1-15-7(4-5-14-15)2-3-9(17)13-6-8(16)10(11)12/h2-5,8,10,16H,6H2,1H3,(H,13,17)/b3-2+
InChIKeyCFECJWLBPWZCKR-NSCUHMNNSA-N
XLogP0.18
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(2-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 (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide (CID 103770382) is (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide is Cn1nccc1/C=C/C(=O)NCC(O)C(F)F.
What is the InChIKey of (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The InChIKey is CFECJWLBPWZCKR-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H13F2N3O2/c1-15-7(4-5-14-15)2-3-9(17)13-6-8(16)10(11)12/h2-5,8,10,16H,6H2,1H3,(H,13,17)/b3-2+.
What are the key properties of (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide?
(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide has a molecular weight of 245.23 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 103770382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).