1-(difluoromethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-3-carboxamide

C10H13F2N3O3 — CID 90647407

IUPAC1-(difluoromethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-3-carboxamide
SMILESO=C(NCC1COCCO1)c1ccn(C(F)F)n1
InChIInChI=1S/C10H13F2N3O3/c11-10(12)15-2-1-8(14-15)9(16)13-5-7-6-17-3-4-18-7/h1-2,7,10H,3-6H2,(H,13,16)
InChIKeyCBVSCFAVVGNYDP-UHFFFAOYSA-N
MW261.23 g/mol
LogP0.42
Rot. Bonds4

About 1-(difluoromethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-3-carboxamide

1-(difluoromethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 90647407) has the molecular formula C10H13F2N3O3 and a molecular weight of 261.23 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID90647407
Molecular FormulaC10H13F2N3O3
Molecular Weight261.23 g/mol
Exact Mass261.09
IUPAC Name1-(difluoromethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-3-carboxamide
SMILESO=C(NCC1COCCO1)c1ccn(C(F)F)n1
InChIInChI=1S/C10H13F2N3O3/c11-10(12)15-2-1-8(14-15)9(16)13-5-7-6-17-3-4-18-7/h1-2,7,10H,3-6H2,(H,13,16)
InChIKeyCBVSCFAVVGNYDP-UHFFFAOYSA-N
XLogP0.42
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(difluoromethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-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 1-(difluoromethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-3-carboxamide (CID 90647407) is 1-(difluoromethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-3-carboxamide is O=C(NCC1COCCO1)c1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is CBVSCFAVVGNYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O3/c11-10(12)15-2-1-8(14-15)9(16)13-5-7-6-17-3-4-18-7/h1-2,7,10H,3-6H2,(H,13,16).
What are the key properties of 1-(difluoromethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-3-carboxamide?
1-(difluoromethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 261.23 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 90647407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).