3-carbamoyl-1H-pyrazole-5-carboxylic acid;1-methylpyrazole

C9H11N5O3 — CID 69264149

IUPAC3-carbamoyl-1H-pyrazole-5-carboxylic acid;1-methylpyrazole
SMILESCn1cccn1.NC(=O)c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C5H5N3O3.C4H6N2/c6-4(9)2-1-3(5(10)11)8-7-2;1-6-4-2-3-5-6/h1H,(H2,6,9)(H,7,8)(H,10,11);2-4H,1H3
InChIKeyNXQSGIZDWIVZIS-UHFFFAOYSA-N
MW237.22 g/mol
LogP-0.37
Rot. Bonds2

About 3-carbamoyl-1H-pyrazole-5-carboxylic acid;1-methylpyrazole

3-carbamoyl-1H-pyrazole-5-carboxylic acid;1-methylpyrazole (PubChem CID 69264149) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is 3-carbamoyl-1H-pyrazole-5-carboxylic acid;1-methylpyrazole.

Molecular Properties

Compound Name3-carbamoyl-1H-pyrazole-5-carboxylic acid;1-methylpyrazole
PubChem CID69264149
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Name3-carbamoyl-1H-pyrazole-5-carboxylic acid;1-methylpyrazole
SMILESCn1cccn1.NC(=O)c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C5H5N3O3.C4H6N2/c6-4(9)2-1-3(5(10)11)8-7-2;1-6-4-2-3-5-6/h1H,(H2,6,9)(H,7,8)(H,10,11);2-4H,1H3
InChIKeyNXQSGIZDWIVZIS-UHFFFAOYSA-N
XLogP-0.37
TPSA126.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-1H-pyrazole-5-carboxylic acid;1-methylpyrazole?
The IUPAC name of 3-carbamoyl-1H-pyrazole-5-carboxylic acid;1-methylpyrazole (CID 69264149) is 3-carbamoyl-1H-pyrazole-5-carboxylic acid;1-methylpyrazole.
What is the SMILES notation for 3-carbamoyl-1H-pyrazole-5-carboxylic acid;1-methylpyrazole?
The canonical SMILES for 3-carbamoyl-1H-pyrazole-5-carboxylic acid;1-methylpyrazole is Cn1cccn1.NC(=O)c1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-carbamoyl-1H-pyrazole-5-carboxylic acid;1-methylpyrazole?
The InChIKey is NXQSGIZDWIVZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3.C4H6N2/c6-4(9)2-1-3(5(10)11)8-7-2;1-6-4-2-3-5-6/h1H,(H2,6,9)(H,7,8)(H,10,11);2-4H,1H3.
What are the key properties of 3-carbamoyl-1H-pyrazole-5-carboxylic acid;1-methylpyrazole?
3-carbamoyl-1H-pyrazole-5-carboxylic acid;1-methylpyrazole has a molecular weight of 237.22 g/mol, XLogP of -0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-1H-pyrazole-5-carboxylic acid;1-methylpyrazole is sourced from PubChem (CID 69264149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).