5-(difluoromethoxy)-N,1-dimethyl-N-prop-2-ynylpyrazole-3-carboxamide

C10H11F2N3O2 — CID 99832501

IUPAC5-(difluoromethoxy)-N,1-dimethyl-N-prop-2-ynylpyrazole-3-carboxamide
SMILESC#CCN(C)C(=O)c1cc(OC(F)F)n(C)n1
InChIInChI=1S/C10H11F2N3O2/c1-4-5-14(2)9(16)7-6-8(15(3)13-7)17-10(11)12/h1,6,10H,5H2,2-3H3
InChIKeyNPFGJIOPZIPXAY-UHFFFAOYSA-N
MW243.21 g/mol
LogP0.73
Rot. Bonds4

About 5-(difluoromethoxy)-N,1-dimethyl-N-prop-2-ynylpyrazole-3-carboxamide

5-(difluoromethoxy)-N,1-dimethyl-N-prop-2-ynylpyrazole-3-carboxamide (PubChem CID 99832501) has the molecular formula C10H11F2N3O2 and a molecular weight of 243.21 g/mol. Its IUPAC name is 5-(difluoromethoxy)-N,1-dimethyl-N-prop-2-ynylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethoxy)-N,1-dimethyl-N-prop-2-ynylpyrazole-3-carboxamide
PubChem CID99832501
Molecular FormulaC10H11F2N3O2
Molecular Weight243.21 g/mol
Exact Mass243.08
IUPAC Name5-(difluoromethoxy)-N,1-dimethyl-N-prop-2-ynylpyrazole-3-carboxamide
SMILESC#CCN(C)C(=O)c1cc(OC(F)F)n(C)n1
InChIInChI=1S/C10H11F2N3O2/c1-4-5-14(2)9(16)7-6-8(15(3)13-7)17-10(11)12/h1,6,10H,5H2,2-3H3
InChIKeyNPFGJIOPZIPXAY-UHFFFAOYSA-N
XLogP0.73
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(difluoromethoxy)-N,1-dimethyl-N-prop-2-ynylpyrazole-3-carboxamide 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 5-(difluoromethoxy)-N,1-dimethyl-N-prop-2-ynylpyrazole-3-carboxamide?
The IUPAC name of 5-(difluoromethoxy)-N,1-dimethyl-N-prop-2-ynylpyrazole-3-carboxamide (CID 99832501) is 5-(difluoromethoxy)-N,1-dimethyl-N-prop-2-ynylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(difluoromethoxy)-N,1-dimethyl-N-prop-2-ynylpyrazole-3-carboxamide?
The canonical SMILES for 5-(difluoromethoxy)-N,1-dimethyl-N-prop-2-ynylpyrazole-3-carboxamide is C#CCN(C)C(=O)c1cc(OC(F)F)n(C)n1.
What is the InChIKey of 5-(difluoromethoxy)-N,1-dimethyl-N-prop-2-ynylpyrazole-3-carboxamide?
The InChIKey is NPFGJIOPZIPXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O2/c1-4-5-14(2)9(16)7-6-8(15(3)13-7)17-10(11)12/h1,6,10H,5H2,2-3H3.
What are the key properties of 5-(difluoromethoxy)-N,1-dimethyl-N-prop-2-ynylpyrazole-3-carboxamide?
5-(difluoromethoxy)-N,1-dimethyl-N-prop-2-ynylpyrazole-3-carboxamide has a molecular weight of 243.21 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-N,1-dimethyl-N-prop-2-ynylpyrazole-3-carboxamide is sourced from PubChem (CID 99832501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).