5-methylidene-2-phenyl-4-[(2H-tetrazol-5-ylamino)methylidene]pyrazolidin-3-one

C12H11N7O — CID 6894187

IUPAC5-methylidene-2-phenyl-4-[(2H-tetrazol-5-ylamino)methylidene]pyrazolidin-3-one
SMILESC=c1[nH]n(-c2ccccc2)c(=O)c1=CNc1nn[nH]n1
InChIInChI=1S/C12H11N7O/c1-8-10(7-13-12-14-17-18-15-12)11(20)19(16-8)9-5-3-2-4-6-9/h2-7,16H,1H2,(H2,13,14,15,17,18)
InChIKeyYLVAHSRAIYEERL-UHFFFAOYSA-N
MW269.27 g/mol
LogP-1.06
Rot. Bonds3

About 5-methylidene-2-phenyl-4-[(2H-tetrazol-5-ylamino)methylidene]pyrazolidin-3-one

5-methylidene-2-phenyl-4-[(2H-tetrazol-5-ylamino)methylidene]pyrazolidin-3-one (PubChem CID 6894187) has the molecular formula C12H11N7O and a molecular weight of 269.27 g/mol. Its IUPAC name is 5-methylidene-2-phenyl-4-[(2H-tetrazol-5-ylamino)methylidene]pyrazolidin-3-one.

Molecular Properties

Compound Name5-methylidene-2-phenyl-4-[(2H-tetrazol-5-ylamino)methylidene]pyrazolidin-3-one
PubChem CID6894187
Molecular FormulaC12H11N7O
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name5-methylidene-2-phenyl-4-[(2H-tetrazol-5-ylamino)methylidene]pyrazolidin-3-one
SMILESC=c1[nH]n(-c2ccccc2)c(=O)c1=CNc1nn[nH]n1
InChIInChI=1S/C12H11N7O/c1-8-10(7-13-12-14-17-18-15-12)11(20)19(16-8)9-5-3-2-4-6-9/h2-7,16H,1H2,(H2,13,14,15,17,18)
InChIKeyYLVAHSRAIYEERL-UHFFFAOYSA-N
XLogP-1.06
TPSA104.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(4Z)-4-[(2-hydroxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 2253149
5-methylidene-4-[[(2-methylquinolin-8-yl)amino]methylidene]-2-phenylpyrazolidin-3-one
CID 5190133
4-[(3-methoxyanilino)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 5189857
ethyl 2-[(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methylamino]benzoate
CID 5190129
diethyl 3-methyl-5-[[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]amino]thiophene-2,4-dicarboxylate
CID 2253126
N'-[[3-methylidene-1-(4-methylphenyl)-5-oxopyrazolidin-4-ylidene]methyl]benzohydrazide
CID 3456648
4-[(2,6-dimethylanilino)methylidene]-2-(3,4-dimethylphenyl)-5-methylidenepyrazolidin-3-one
CID 3577253
3-[[3-methylidene-1-(4-methylphenyl)-5-oxopyrazolidin-4-ylidene]methylamino]benzoic acid
CID 4621387
(4E)-4-[(1-ethylindol-3-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
CID 2310378
2-[2-[(Z)-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl]acetate
CID 2341150
4-[(E)-[1-(4-chlorophenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 2253509
2-(3,4-dimethylphenyl)-5-methylidene-4-[(propan-2-ylamino)methylidene]pyrazolidin-3-one
CID 3325747

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2-phenyl-4-[(2H-tetrazol-5-ylamino)methylidene]pyrazolidin-3-one?
The IUPAC name of 5-methylidene-2-phenyl-4-[(2H-tetrazol-5-ylamino)methylidene]pyrazolidin-3-one (CID 6894187) is 5-methylidene-2-phenyl-4-[(2H-tetrazol-5-ylamino)methylidene]pyrazolidin-3-one.
What is the SMILES notation for 5-methylidene-2-phenyl-4-[(2H-tetrazol-5-ylamino)methylidene]pyrazolidin-3-one?
The canonical SMILES for 5-methylidene-2-phenyl-4-[(2H-tetrazol-5-ylamino)methylidene]pyrazolidin-3-one is C=c1[nH]n(-c2ccccc2)c(=O)c1=CNc1nn[nH]n1.
What is the InChIKey of 5-methylidene-2-phenyl-4-[(2H-tetrazol-5-ylamino)methylidene]pyrazolidin-3-one?
The InChIKey is YLVAHSRAIYEERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7O/c1-8-10(7-13-12-14-17-18-15-12)11(20)19(16-8)9-5-3-2-4-6-9/h2-7,16H,1H2,(H2,13,14,15,17,18).
What are the key properties of 5-methylidene-2-phenyl-4-[(2H-tetrazol-5-ylamino)methylidene]pyrazolidin-3-one?
5-methylidene-2-phenyl-4-[(2H-tetrazol-5-ylamino)methylidene]pyrazolidin-3-one has a molecular weight of 269.27 g/mol, XLogP of -1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2-phenyl-4-[(2H-tetrazol-5-ylamino)methylidene]pyrazolidin-3-one is sourced from PubChem (CID 6894187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).