N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-N'-(1-propan-2-ylpyrazol-4-yl)oxamide

C15H24N4O3 — CID 95974031

IUPACN-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-N'-(1-propan-2-ylpyrazol-4-yl)oxamide
SMILESCC(C)n1cc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)cn1
InChIInChI=1S/C15H24N4O3/c1-10(2)19-9-12(8-17-19)18-15(22)14(21)16-7-11-5-3-4-6-13(11)20/h8-11,13,20H,3-7H2,1-2H3,(H,16,21)(H,18,22)/t11-,13-/m1/s1
InChIKeyGTDNAFDOTHVXLG-DGCLKSJQSA-N
MW308.38 g/mol
LogP1.07
Rot. Bonds4

About N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-N'-(1-propan-2-ylpyrazol-4-yl)oxamide

N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-N'-(1-propan-2-ylpyrazol-4-yl)oxamide (PubChem CID 95974031) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-N'-(1-propan-2-ylpyrazol-4-yl)oxamide.

Molecular Properties

Compound NameN-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-N'-(1-propan-2-ylpyrazol-4-yl)oxamide
PubChem CID95974031
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-N'-(1-propan-2-ylpyrazol-4-yl)oxamide
SMILESCC(C)n1cc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)cn1
InChIInChI=1S/C15H24N4O3/c1-10(2)19-9-12(8-17-19)18-15(22)14(21)16-7-11-5-3-4-6-13(11)20/h8-11,13,20H,3-7H2,1-2H3,(H,16,21)(H,18,22)/t11-,13-/m1/s1
InChIKeyGTDNAFDOTHVXLG-DGCLKSJQSA-N
XLogP1.07
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-N'-(1-propan-2-ylpyrazol-4-yl)oxamide?
The IUPAC name of N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-N'-(1-propan-2-ylpyrazol-4-yl)oxamide (CID 95974031) is N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-N'-(1-propan-2-ylpyrazol-4-yl)oxamide.
What is the SMILES notation for N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-N'-(1-propan-2-ylpyrazol-4-yl)oxamide?
The canonical SMILES for N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-N'-(1-propan-2-ylpyrazol-4-yl)oxamide is CC(C)n1cc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)cn1.
What is the InChIKey of N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-N'-(1-propan-2-ylpyrazol-4-yl)oxamide?
The InChIKey is GTDNAFDOTHVXLG-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-10(2)19-9-12(8-17-19)18-15(22)14(21)16-7-11-5-3-4-6-13(11)20/h8-11,13,20H,3-7H2,1-2H3,(H,16,21)(H,18,22)/t11-,13-/m1/s1.
What are the key properties of N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-N'-(1-propan-2-ylpyrazol-4-yl)oxamide?
N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-N'-(1-propan-2-ylpyrazol-4-yl)oxamide has a molecular weight of 308.38 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-N'-(1-propan-2-ylpyrazol-4-yl)oxamide is sourced from PubChem (CID 95974031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).