N-(2-hydroxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide

C6H9N3O3 — CID 91611511

IUPACN-(2-hydroxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESO=C(NCCO)c1cc(=O)[nH][nH]1
InChIInChI=1S/C6H9N3O3/c10-2-1-7-6(12)4-3-5(11)9-8-4/h3,10H,1-2H2,(H,7,12)(H2,8,9,11)
InChIKeyPIWWPWUWXYHFMN-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.57
Rot. Bonds3

About N-(2-hydroxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide

N-(2-hydroxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide (PubChem CID 91611511) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
PubChem CID91611511
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC NameN-(2-hydroxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESO=C(NCCO)c1cc(=O)[nH][nH]1
InChIInChI=1S/C6H9N3O3/c10-2-1-7-6(12)4-3-5(11)9-8-4/h3,10H,1-2H2,(H,7,12)(H2,8,9,11)
InChIKeyPIWWPWUWXYHFMN-UHFFFAOYSA-N
XLogP-1.57
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide (CID 91611511) is N-(2-hydroxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide is O=C(NCCO)c1cc(=O)[nH][nH]1.
What is the InChIKey of N-(2-hydroxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The InChIKey is PIWWPWUWXYHFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c10-2-1-7-6(12)4-3-5(11)9-8-4/h3,10H,1-2H2,(H,7,12)(H2,8,9,11).
What are the key properties of N-(2-hydroxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide?
N-(2-hydroxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide has a molecular weight of 171.16 g/mol, XLogP of -1.57, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 91611511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).