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

C10H15N3O4 — CID 56924047

IUPAC1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H15N3O4/c1-10(2,3)17-9(16)12-7-6(8(14)15)5-11-13(7)4/h5H,1-4H3,(H,12,16)(H,14,15)
InChIKeyQGGMHAWQLPZVEJ-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.47
Rot. Bonds2

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

1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-4-carboxylic acid (PubChem CID 56924047) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-4-carboxylic acid
PubChem CID56924047
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H15N3O4/c1-10(2,3)17-9(16)12-7-6(8(14)15)5-11-13(7)4/h5H,1-4H3,(H,12,16)(H,14,15)
InChIKeyQGGMHAWQLPZVEJ-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

5-amino-1-methyl-1H-pyrazole-4-carboxylic acid
CID 313342
3-Amino-1-methyl-1H-pyrazole-4-carboxylic acid
CID 19754734
5-amino-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
CID 67124065
5-amino-1-tert-butyl-1H-pyrazole-4-carboxylic acid
CID 83241530
3-{[(tert-butoxy)carbonyl]amino}-1-methyl-1H-pyrazole-4-carboxylic acid
CID 117859552
tert-butyl N-(4-formyl-1-methyl-1H-pyrazol-3-yl)carbamate
CID 125511537
5-oxo-4H,5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 135741773
5-amino-1-ethenyl-1H-pyrazole-4-carboxylic acid
CID 145867275
5-Amino-1-pentylpyrazole-4-carboxylic acid
CID 70195363
5-Amino-1-(3-fluoropropyl)pyrazole-4-carboxylic acid
CID 84660869
1-Methyl-5-[(4,4,4-trifluoro-3-oxobutanoyl)amino]pyrazole-4-carboxylic acid
CID 110479398
1-methyl-5-(trifluoroacetamido)-1H-pyrazole-4-carboxylic acid
CID 110481234

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-4-carboxylic acid (CID 56924047) is 1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1NC(=O)OC(C)(C)C.
What is the InChIKey of 1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-4-carboxylic acid?
The InChIKey is QGGMHAWQLPZVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-10(2,3)17-9(16)12-7-6(8(14)15)5-11-13(7)4/h5H,1-4H3,(H,12,16)(H,14,15).
What are the key properties of 1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-4-carboxylic acid?
1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-4-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-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-4-carboxylic acid is sourced from PubChem (CID 56924047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).