N'-(1-tert-butylpyrazol-4-yl)-N-(2-propan-2-ylpyrazol-3-yl)oxamide

C15H22N6O2 — CID 75387715

IUPACN'-(1-tert-butylpyrazol-4-yl)-N-(2-propan-2-ylpyrazol-3-yl)oxamide
SMILESCC(C)n1nccc1NC(=O)C(=O)Nc1cnn(C(C)(C)C)c1
InChIInChI=1S/C15H22N6O2/c1-10(2)21-12(6-7-16-21)19-14(23)13(22)18-11-8-17-20(9-11)15(3,4)5/h6-10H,1-5H3,(H,18,22)(H,19,23)
InChIKeyJKULQGLIBMHKCT-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.99
Rot. Bonds3

About N'-(1-tert-butylpyrazol-4-yl)-N-(2-propan-2-ylpyrazol-3-yl)oxamide

N'-(1-tert-butylpyrazol-4-yl)-N-(2-propan-2-ylpyrazol-3-yl)oxamide (PubChem CID 75387715) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N'-(1-tert-butylpyrazol-4-yl)-N-(2-propan-2-ylpyrazol-3-yl)oxamide.

Molecular Properties

Compound NameN'-(1-tert-butylpyrazol-4-yl)-N-(2-propan-2-ylpyrazol-3-yl)oxamide
PubChem CID75387715
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC NameN'-(1-tert-butylpyrazol-4-yl)-N-(2-propan-2-ylpyrazol-3-yl)oxamide
SMILESCC(C)n1nccc1NC(=O)C(=O)Nc1cnn(C(C)(C)C)c1
InChIInChI=1S/C15H22N6O2/c1-10(2)21-12(6-7-16-21)19-14(23)13(22)18-11-8-17-20(9-11)15(3,4)5/h6-10H,1-5H3,(H,18,22)(H,19,23)
InChIKeyJKULQGLIBMHKCT-UHFFFAOYSA-N
XLogP1.99
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(1-tert-butylpyrazol-4-yl)propanamide
CID 119307372
4-tert-butyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30182601
methyl N-(2-propan-2-ylpyrazol-3-yl)carbamate
CID 115619372
5-(methylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide
CID 104639716
4-tert-butyl-N-[1-[(1-tert-butylpyrazol-4-yl)amino]-1-oxopropan-2-yl]benzamide
CID 71936230
N-(1-tert-butylpyrazol-4-yl)pentanamide
CID 86860471
2-[tert-butyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid
CID 79263256
5-bromo-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide
CID 62954369
4-amino-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 71668599
2-methyl-2-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylpropanoic acid
CID 81223688
N-(3-acetylphenyl)-2-[(1-tert-butylpyrazol-4-yl)amino]propanamide
CID 86791882
N-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide
CID 47463711

Frequently Asked Questions

What is the IUPAC name of N'-(1-tert-butylpyrazol-4-yl)-N-(2-propan-2-ylpyrazol-3-yl)oxamide?
The IUPAC name of N'-(1-tert-butylpyrazol-4-yl)-N-(2-propan-2-ylpyrazol-3-yl)oxamide (CID 75387715) is N'-(1-tert-butylpyrazol-4-yl)-N-(2-propan-2-ylpyrazol-3-yl)oxamide.
What is the SMILES notation for N'-(1-tert-butylpyrazol-4-yl)-N-(2-propan-2-ylpyrazol-3-yl)oxamide?
The canonical SMILES for N'-(1-tert-butylpyrazol-4-yl)-N-(2-propan-2-ylpyrazol-3-yl)oxamide is CC(C)n1nccc1NC(=O)C(=O)Nc1cnn(C(C)(C)C)c1.
What is the InChIKey of N'-(1-tert-butylpyrazol-4-yl)-N-(2-propan-2-ylpyrazol-3-yl)oxamide?
The InChIKey is JKULQGLIBMHKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-10(2)21-12(6-7-16-21)19-14(23)13(22)18-11-8-17-20(9-11)15(3,4)5/h6-10H,1-5H3,(H,18,22)(H,19,23).
What are the key properties of N'-(1-tert-butylpyrazol-4-yl)-N-(2-propan-2-ylpyrazol-3-yl)oxamide?
N'-(1-tert-butylpyrazol-4-yl)-N-(2-propan-2-ylpyrazol-3-yl)oxamide has a molecular weight of 318.38 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-tert-butylpyrazol-4-yl)-N-(2-propan-2-ylpyrazol-3-yl)oxamide is sourced from PubChem (CID 75387715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).