2-fluoro-N-(1-methyl-5-propan-2-ylpyrazol-4-yl)prop-2-enamide

C10H14FN3O — CID 176981891

IUPAC2-fluoro-N-(1-methyl-5-propan-2-ylpyrazol-4-yl)prop-2-enamide
SMILESC=C(F)C(=O)Nc1cnn(C)c1C(C)C
InChIInChI=1S/C10H14FN3O/c1-6(2)9-8(5-12-14(9)4)13-10(15)7(3)11/h5-6H,3H2,1-2,4H3,(H,13,15)
InChIKeyQQIPPLCGRVFBFX-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.97
Rot. Bonds3

About 2-fluoro-N-(1-methyl-5-propan-2-ylpyrazol-4-yl)prop-2-enamide

2-fluoro-N-(1-methyl-5-propan-2-ylpyrazol-4-yl)prop-2-enamide (PubChem CID 176981891) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-fluoro-N-(1-methyl-5-propan-2-ylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name2-fluoro-N-(1-methyl-5-propan-2-ylpyrazol-4-yl)prop-2-enamide
PubChem CID176981891
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name2-fluoro-N-(1-methyl-5-propan-2-ylpyrazol-4-yl)prop-2-enamide
SMILESC=C(F)C(=O)Nc1cnn(C)c1C(C)C
InChIInChI=1S/C10H14FN3O/c1-6(2)9-8(5-12-14(9)4)13-10(15)7(3)11/h5-6H,3H2,1-2,4H3,(H,13,15)
InChIKeyQQIPPLCGRVFBFX-UHFFFAOYSA-N
XLogP1.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-methyl-5-propan-2-ylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of 2-fluoro-N-(1-methyl-5-propan-2-ylpyrazol-4-yl)prop-2-enamide (CID 176981891) is 2-fluoro-N-(1-methyl-5-propan-2-ylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for 2-fluoro-N-(1-methyl-5-propan-2-ylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for 2-fluoro-N-(1-methyl-5-propan-2-ylpyrazol-4-yl)prop-2-enamide is C=C(F)C(=O)Nc1cnn(C)c1C(C)C.
What is the InChIKey of 2-fluoro-N-(1-methyl-5-propan-2-ylpyrazol-4-yl)prop-2-enamide?
The InChIKey is QQIPPLCGRVFBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-6(2)9-8(5-12-14(9)4)13-10(15)7(3)11/h5-6H,3H2,1-2,4H3,(H,13,15).
What are the key properties of 2-fluoro-N-(1-methyl-5-propan-2-ylpyrazol-4-yl)prop-2-enamide?
2-fluoro-N-(1-methyl-5-propan-2-ylpyrazol-4-yl)prop-2-enamide has a molecular weight of 211.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-methyl-5-propan-2-ylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 176981891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).