(2R)-N-(4-bromo-1H-pyrazol-5-yl)oxolane-2-carboxamide

C8H10BrN3O2 — CID 126982245

IUPAC(2R)-N-(4-bromo-1H-pyrazol-5-yl)oxolane-2-carboxamide
SMILESO=C(Nc1[nH]ncc1Br)[C@H]1CCCO1
InChIInChI=1S/C8H10BrN3O2/c9-5-4-10-12-7(5)11-8(13)6-2-1-3-14-6/h4,6H,1-3H2,(H2,10,11,12,13)/t6-/m1/s1
InChIKeyDIXRRDORVOAUCP-ZCFIWIBFSA-N
MW260.09 g/mol
LogP1.29
Rot. Bonds2

About (2R)-N-(4-bromo-1H-pyrazol-5-yl)oxolane-2-carboxamide

(2R)-N-(4-bromo-1H-pyrazol-5-yl)oxolane-2-carboxamide (PubChem CID 126982245) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is (2R)-N-(4-bromo-1H-pyrazol-5-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-bromo-1H-pyrazol-5-yl)oxolane-2-carboxamide
PubChem CID126982245
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Name(2R)-N-(4-bromo-1H-pyrazol-5-yl)oxolane-2-carboxamide
SMILESO=C(Nc1[nH]ncc1Br)[C@H]1CCCO1
InChIInChI=1S/C8H10BrN3O2/c9-5-4-10-12-7(5)11-8(13)6-2-1-3-14-6/h4,6H,1-3H2,(H2,10,11,12,13)/t6-/m1/s1
InChIKeyDIXRRDORVOAUCP-ZCFIWIBFSA-N
XLogP1.29
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-ethyl-1H-pyrazol-5-yl)oxolane-2-carboxamide
CID 103852363
(2S)-N-(3,5-dibromo-4-hydroxyphenyl)oxolane-2-carboxamide
CID 9319932
(2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide
CID 7346608
(2S)-N-(1H-imidazol-5-yl)oxolane-2-carboxamide
CID 130701743
3-[[(2S)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid
CID 104855741
(2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide
CID 103582033
(2R)-N-(1,2-oxazol-4-yl)oxolane-2-carboxamide
CID 130616436
(2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]oxolane-2-carboxamide
CID 103849971
(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide
CID 7923565
N-(2-bromophenyl)oxane-2-carboxamide
CID 62214619
(2S)-N-(1H-imidazol-2-yl)oxolane-2-carboxamide
CID 103872487
3-bromo-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855724

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-bromo-1H-pyrazol-5-yl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-(4-bromo-1H-pyrazol-5-yl)oxolane-2-carboxamide (CID 126982245) is (2R)-N-(4-bromo-1H-pyrazol-5-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-bromo-1H-pyrazol-5-yl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-(4-bromo-1H-pyrazol-5-yl)oxolane-2-carboxamide is O=C(Nc1[nH]ncc1Br)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-(4-bromo-1H-pyrazol-5-yl)oxolane-2-carboxamide?
The InChIKey is DIXRRDORVOAUCP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c9-5-4-10-12-7(5)11-8(13)6-2-1-3-14-6/h4,6H,1-3H2,(H2,10,11,12,13)/t6-/m1/s1.
What are the key properties of (2R)-N-(4-bromo-1H-pyrazol-5-yl)oxolane-2-carboxamide?
(2R)-N-(4-bromo-1H-pyrazol-5-yl)oxolane-2-carboxamide has a molecular weight of 260.09 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-bromo-1H-pyrazol-5-yl)oxolane-2-carboxamide is sourced from PubChem (CID 126982245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).