N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

C13H22N4O2 — CID 95615872

IUPACN-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)N[C@@H](C(N)=O)C(C)C)n[nH]1
InChIInChI=1S/C13H22N4O2/c1-7(2)5-9-6-10(17-16-9)13(19)15-11(8(3)4)12(14)18/h6-8,11H,5H2,1-4H3,(H2,14,18)(H,15,19)(H,16,17)/t11-/m1/s1
InChIKeyOXHUTEKILIRYHP-LLVKDONJSA-N
MW266.34 g/mol
LogP0.85
Rot. Bonds6

About N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 95615872) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID95615872
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)N[C@@H](C(N)=O)C(C)C)n[nH]1
InChIInChI=1S/C13H22N4O2/c1-7(2)5-9-6-10(17-16-9)13(19)15-11(8(3)4)12(14)18/h6-8,11H,5H2,1-4H3,(H2,14,18)(H,15,19)(H,16,17)/t11-/m1/s1
InChIKeyOXHUTEKILIRYHP-LLVKDONJSA-N
XLogP0.85
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (CID 95615872) is N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is CC(C)Cc1cc(C(=O)N[C@@H](C(N)=O)C(C)C)n[nH]1.
What is the InChIKey of N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is OXHUTEKILIRYHP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-7(2)5-9-6-10(17-16-9)13(19)15-11(8(3)4)12(14)18/h6-8,11H,5H2,1-4H3,(H2,14,18)(H,15,19)(H,16,17)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95615872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).