1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylic acid

C10H15N3O4 — CID 83387273

IUPAC1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylic acid
SMILESCn1ncc(NC(=O)OC(C)(C)C)c1C(=O)O
InChIInChI=1S/C10H15N3O4/c1-10(2,3)17-9(16)12-6-5-11-13(4)7(6)8(14)15/h5H,1-4H3,(H,12,16)(H,14,15)
InChIKeyNDAGCIJPZHOZPG-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.47
Rot. Bonds2

About 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylic acid

1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylic acid (PubChem CID 83387273) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylic acid
PubChem CID83387273
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylic acid
SMILESCn1ncc(NC(=O)OC(C)(C)C)c1C(=O)O
InChIInChI=1S/C10H15N3O4/c1-10(2,3)17-9(16)12-6-5-11-13(4)7(6)8(14)15/h5H,1-4H3,(H,12,16)(H,14,15)
InChIKeyNDAGCIJPZHOZPG-UHFFFAOYSA-N
XLogP1.47
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate
CID 67304447
tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate
CID 146155648
tert-butyl N-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]carbamate
CID 83384087
tert-butyl N-[5-(2-aminoethyl)-1-methylpyrazol-4-yl]carbamate
CID 83384262
1-methyl-4-(methylcarbamothioylamino)pyrazole-5-carboxylic acid
CID 19343582
methyl (E)-4-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazol-5-yl]but-3-enoate
CID 134607430
tert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate
CID 135361965
1-methyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]sulfonylpyrazole-5-carboxylic acid
CID 171794568
tert-butyl N-(1-ethyl-5-iodopyrazol-4-yl)carbamate
CID 155822698
3-methyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid
CID 162377851
1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonyl]pyrimidin-2-yl]pyrazole-5-carboxylic acid
CID 170566089
tert-butyl N-(1-fluorosulfanyl-5-methylpyrazol-4-yl)carbamate;ethane
CID 142427527

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylic acid?
The IUPAC name of 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylic acid (CID 83387273) is 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylic acid is Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)O.
What is the InChIKey of 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylic acid?
The InChIKey is NDAGCIJPZHOZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-10(2,3)17-9(16)12-6-5-11-13(4)7(6)8(14)15/h5H,1-4H3,(H,12,16)(H,14,15).
What are the key properties of 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylic acid?
1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylic acid has a molecular weight of 241.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylic acid is sourced from PubChem (CID 83387273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).