(2R)-N-(1-methylpyrazol-4-yl)oxetane-2-carboxamide

C8H11N3O2 — CID 175500710

IUPAC(2R)-N-(1-methylpyrazol-4-yl)oxetane-2-carboxamide
SMILESCn1cc(NC(=O)[C@H]2CCO2)cn1
InChIInChI=1S/C8H11N3O2/c1-11-5-6(4-9-11)10-8(12)7-2-3-13-7/h4-5,7H,2-3H2,1H3,(H,10,12)/t7-/m1/s1
InChIKeyHXWUESHLGXMZJA-SSDOTTSWSA-N
MW181.19 g/mol
LogP0.15
Rot. Bonds2

About (2R)-N-(1-methylpyrazol-4-yl)oxetane-2-carboxamide

(2R)-N-(1-methylpyrazol-4-yl)oxetane-2-carboxamide (PubChem CID 175500710) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is (2R)-N-(1-methylpyrazol-4-yl)oxetane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1-methylpyrazol-4-yl)oxetane-2-carboxamide
PubChem CID175500710
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name(2R)-N-(1-methylpyrazol-4-yl)oxetane-2-carboxamide
SMILESCn1cc(NC(=O)[C@H]2CCO2)cn1
InChIInChI=1S/C8H11N3O2/c1-11-5-6(4-9-11)10-8(12)7-2-3-13-7/h4-5,7H,2-3H2,1H3,(H,10,12)/t7-/m1/s1
InChIKeyHXWUESHLGXMZJA-SSDOTTSWSA-N
XLogP0.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide
CID 47463711
methyl 2-[4-[[(2S)-oxolane-2-carbonyl]amino]pyrazol-1-yl]acetate
CID 93440590
1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea
CID 115617906
(2R,3R)-N-(1-methylpyrazol-4-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 154738421
3-[(1-methylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782962
N-pyridin-4-yloxetane-2-carboxamide
CID 130979378
1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-(1-methylpyrazol-4-yl)urea
CID 128999486
1-(1-methylpyrazol-4-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129002052
5-fluoro-N-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 126779485
(2S)-5-chloro-N-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 32606463
N-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide
CID 112728864
1-methyl-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 71897000

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-methylpyrazol-4-yl)oxetane-2-carboxamide?
The IUPAC name of (2R)-N-(1-methylpyrazol-4-yl)oxetane-2-carboxamide (CID 175500710) is (2R)-N-(1-methylpyrazol-4-yl)oxetane-2-carboxamide.
What is the SMILES notation for (2R)-N-(1-methylpyrazol-4-yl)oxetane-2-carboxamide?
The canonical SMILES for (2R)-N-(1-methylpyrazol-4-yl)oxetane-2-carboxamide is Cn1cc(NC(=O)[C@H]2CCO2)cn1.
What is the InChIKey of (2R)-N-(1-methylpyrazol-4-yl)oxetane-2-carboxamide?
The InChIKey is HXWUESHLGXMZJA-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-11-5-6(4-9-11)10-8(12)7-2-3-13-7/h4-5,7H,2-3H2,1H3,(H,10,12)/t7-/m1/s1.
What are the key properties of (2R)-N-(1-methylpyrazol-4-yl)oxetane-2-carboxamide?
(2R)-N-(1-methylpyrazol-4-yl)oxetane-2-carboxamide has a molecular weight of 181.19 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-methylpyrazol-4-yl)oxetane-2-carboxamide is sourced from PubChem (CID 175500710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).