CID 131869061

C10H10N2NaO2 — CID 131869061

IUPAC—
SMILESO=C(O)N1N=CCC1c1ccccc1.[Na]
InChIInChI=1S/C10H10N2O2.Na/c13-10(14)12-9(6-7-11-12)8-4-2-1-3-5-8;/h1-5,7,9H,6H2,(H,13,14);
InChIKeyNCJRGKLOWIMARM-UHFFFAOYSA-N
MW213.19 g/mol
LogP1.72
Rot. Bonds1

About CID 131869061

CID 131869061 (PubChem CID 131869061) has the molecular formula C10H10N2NaO2 and a molecular weight of 213.19 g/mol.

Molecular Properties

Compound NameCID 131869061
PubChem CID131869061
Molecular FormulaC10H10N2NaO2
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name—
SMILESO=C(O)N1N=CCC1c1ccccc1.[Na]
InChIInChI=1S/C10H10N2O2.Na/c13-10(14)12-9(6-7-11-12)8-4-2-1-3-5-8;/h1-5,7,9H,6H2,(H,13,14);
InChIKeyNCJRGKLOWIMARM-UHFFFAOYSA-N
XLogP1.72
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-2,2-Dimethyl-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)propan-1-one
CID 122703613
GSK963 Racemate
CID 122703691
2-Methyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)propan-1-one
CID 122703716
1-(5-Phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one
CID 3021811
1H-Pyrazole-1-carboxylic acid, 4,5-dihydro-5-phenyl-, ethyl ester
CID 3079077
Sodium 5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxylate
CID 23690231
5-Methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one
CID 13488172
tert-Butyl 5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxylate
CID 395344
(R)-2,2-Dimethyl-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)propan-1-one
CID 122703688
1-benzyl-4,5-dihydro-1H-pyrazol-5-one
CID 14100659
4,5-Dihydro-1-methyl-5-phenyl-1H-pyrazole
CID 12261753
2-Phthalazinecarboxylic acid
CID 23055954

Frequently Asked Questions

What is the IUPAC name of CID 131869061?
The IUPAC name of CID 131869061 (CID 131869061) is not available.
What is the SMILES notation for CID 131869061?
The canonical SMILES for CID 131869061 is O=C(O)N1N=CCC1c1ccccc1.[Na].
What is the InChIKey of CID 131869061?
The InChIKey is NCJRGKLOWIMARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.Na/c13-10(14)12-9(6-7-11-12)8-4-2-1-3-5-8;/h1-5,7,9H,6H2,(H,13,14);.
What are the key properties of CID 131869061?
CID 131869061 has a molecular weight of 213.19 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131869061 is sourced from PubChem (CID 131869061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).