5-formamido-1H-pyrazole-4-carboxamide

C5H6N4O2 — CID 44819953

IUPAC5-formamido-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1NC=O
InChIInChI=1S/C5H6N4O2/c6-4(11)3-1-8-9-5(3)7-2-10/h1-2H,(H2,6,11)(H2,7,8,9,10)
InChIKeyMKVXRGIJTKYXPR-UHFFFAOYSA-N
MW154.13 g/mol
LogP-0.92
Rot. Bonds3

About 5-formamido-1H-pyrazole-4-carboxamide

5-formamido-1H-pyrazole-4-carboxamide (PubChem CID 44819953) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is 5-formamido-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-formamido-1H-pyrazole-4-carboxamide
PubChem CID44819953
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Name5-formamido-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1NC=O
InChIInChI=1S/C5H6N4O2/c6-4(11)3-1-8-9-5(3)7-2-10/h1-2H,(H2,6,11)(H2,7,8,9,10)
InChIKeyMKVXRGIJTKYXPR-UHFFFAOYSA-N
XLogP-0.92
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-formamido-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-formamido-1H-pyrazole-4-carboxamide (CID 44819953) is 5-formamido-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-formamido-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-formamido-1H-pyrazole-4-carboxamide is NC(=O)c1cn[nH]c1NC=O.
What is the InChIKey of 5-formamido-1H-pyrazole-4-carboxamide?
The InChIKey is MKVXRGIJTKYXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c6-4(11)3-1-8-9-5(3)7-2-10/h1-2H,(H2,6,11)(H2,7,8,9,10).
What are the key properties of 5-formamido-1H-pyrazole-4-carboxamide?
5-formamido-1H-pyrazole-4-carboxamide has a molecular weight of 154.13 g/mol, XLogP of -0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formamido-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 44819953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).