N'-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-N-(1-propan-2-ylpyrazol-4-yl)oxamide

C14H22N4O3 — CID 95973999

IUPACN'-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-N-(1-propan-2-ylpyrazol-4-yl)oxamide
SMILESCC(C)n1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCCO2)cn1
InChIInChI=1S/C14H22N4O3/c1-9(2)18-8-11(7-15-18)17-14(20)13(19)16-10(3)12-5-4-6-21-12/h7-10,12H,4-6H2,1-3H3,(H,16,19)(H,17,20)/t10-,12+/m1/s1
InChIKeyAFILLLZYMOFCNM-PWSUYJOCSA-N
MW294.36 g/mol
LogP1.09
Rot. Bonds4

About N'-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-N-(1-propan-2-ylpyrazol-4-yl)oxamide

N'-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-N-(1-propan-2-ylpyrazol-4-yl)oxamide (PubChem CID 95973999) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is N'-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-N-(1-propan-2-ylpyrazol-4-yl)oxamide.

Molecular Properties

Compound NameN'-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-N-(1-propan-2-ylpyrazol-4-yl)oxamide
PubChem CID95973999
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC NameN'-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-N-(1-propan-2-ylpyrazol-4-yl)oxamide
SMILESCC(C)n1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCCO2)cn1
InChIInChI=1S/C14H22N4O3/c1-9(2)18-8-11(7-15-18)17-14(20)13(19)16-10(3)12-5-4-6-21-12/h7-10,12H,4-6H2,1-3H3,(H,16,19)(H,17,20)/t10-,12+/m1/s1
InChIKeyAFILLLZYMOFCNM-PWSUYJOCSA-N
XLogP1.09
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-N'-[1-(oxolan-2-yl)ethyl]oxamide
CID 47229364
2-[4-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoylamino]pyrazol-1-yl]acetamide
CID 95132232
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 94031414
2-(4-aminopyrazol-1-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533738
1-[3-(oxan-2-yl)propyl]-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 75484975
N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide
CID 86768685
N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
CID 115671097
4,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
CID 71981500
2-amino-2-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 113279805
2-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 62904242
2-amino-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1-carboxamide
CID 64824835
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018

Frequently Asked Questions

What is the IUPAC name of N'-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-N-(1-propan-2-ylpyrazol-4-yl)oxamide?
The IUPAC name of N'-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-N-(1-propan-2-ylpyrazol-4-yl)oxamide (CID 95973999) is N'-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-N-(1-propan-2-ylpyrazol-4-yl)oxamide.
What is the SMILES notation for N'-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-N-(1-propan-2-ylpyrazol-4-yl)oxamide?
The canonical SMILES for N'-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-N-(1-propan-2-ylpyrazol-4-yl)oxamide is CC(C)n1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCCO2)cn1.
What is the InChIKey of N'-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-N-(1-propan-2-ylpyrazol-4-yl)oxamide?
The InChIKey is AFILLLZYMOFCNM-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9(2)18-8-11(7-15-18)17-14(20)13(19)16-10(3)12-5-4-6-21-12/h7-10,12H,4-6H2,1-3H3,(H,16,19)(H,17,20)/t10-,12+/m1/s1.
What are the key properties of N'-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-N-(1-propan-2-ylpyrazol-4-yl)oxamide?
N'-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-N-(1-propan-2-ylpyrazol-4-yl)oxamide has a molecular weight of 294.36 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-N-(1-propan-2-ylpyrazol-4-yl)oxamide is sourced from PubChem (CID 95973999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).