N-(4-bromo-1H-pyrazol-5-yl)-3,5-dimethyloxolane-2-carboxamide

C10H14BrN3O2 — CID 136545095

IUPACN-(4-bromo-1H-pyrazol-5-yl)-3,5-dimethyloxolane-2-carboxamide
SMILESCC1CC(C)C(C(=O)Nc2[nH]ncc2Br)O1
InChIInChI=1S/C10H14BrN3O2/c1-5-3-6(2)16-8(5)10(15)13-9-7(11)4-12-14-9/h4-6,8H,3H2,1-2H3,(H2,12,13,14,15)
InChIKeyVZYJWKMHLWTGHK-UHFFFAOYSA-N
MW288.15 g/mol
LogP1.92
Rot. Bonds2

About N-(4-bromo-1H-pyrazol-5-yl)-3,5-dimethyloxolane-2-carboxamide

N-(4-bromo-1H-pyrazol-5-yl)-3,5-dimethyloxolane-2-carboxamide (PubChem CID 136545095) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.15 g/mol. Its IUPAC name is N-(4-bromo-1H-pyrazol-5-yl)-3,5-dimethyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-1H-pyrazol-5-yl)-3,5-dimethyloxolane-2-carboxamide
PubChem CID136545095
Molecular FormulaC10H14BrN3O2
Molecular Weight288.15 g/mol
Exact Mass287.03
IUPAC NameN-(4-bromo-1H-pyrazol-5-yl)-3,5-dimethyloxolane-2-carboxamide
SMILESCC1CC(C)C(C(=O)Nc2[nH]ncc2Br)O1
InChIInChI=1S/C10H14BrN3O2/c1-5-3-6(2)16-8(5)10(15)13-9-7(11)4-12-14-9/h4-6,8H,3H2,1-2H3,(H2,12,13,14,15)
InChIKeyVZYJWKMHLWTGHK-UHFFFAOYSA-N
XLogP1.92
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1H-pyrazol-5-yl)-3,5-dimethyloxolane-2-carboxamide?
The IUPAC name of N-(4-bromo-1H-pyrazol-5-yl)-3,5-dimethyloxolane-2-carboxamide (CID 136545095) is N-(4-bromo-1H-pyrazol-5-yl)-3,5-dimethyloxolane-2-carboxamide.
What is the SMILES notation for N-(4-bromo-1H-pyrazol-5-yl)-3,5-dimethyloxolane-2-carboxamide?
The canonical SMILES for N-(4-bromo-1H-pyrazol-5-yl)-3,5-dimethyloxolane-2-carboxamide is CC1CC(C)C(C(=O)Nc2[nH]ncc2Br)O1.
What is the InChIKey of N-(4-bromo-1H-pyrazol-5-yl)-3,5-dimethyloxolane-2-carboxamide?
The InChIKey is VZYJWKMHLWTGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-5-3-6(2)16-8(5)10(15)13-9-7(11)4-12-14-9/h4-6,8H,3H2,1-2H3,(H2,12,13,14,15).
What are the key properties of N-(4-bromo-1H-pyrazol-5-yl)-3,5-dimethyloxolane-2-carboxamide?
N-(4-bromo-1H-pyrazol-5-yl)-3,5-dimethyloxolane-2-carboxamide has a molecular weight of 288.15 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1H-pyrazol-5-yl)-3,5-dimethyloxolane-2-carboxamide is sourced from PubChem (CID 136545095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).