5-cyclopropylidene-4-[(5-methyl-1H-pyrazol-4-yl)methylidene]pyrazolidin-3-one

C11H12N4O — CID 90887960

IUPAC5-cyclopropylidene-4-[(5-methyl-1H-pyrazol-4-yl)methylidene]pyrazolidin-3-one
SMILESCc1[nH]ncc1C=c1c(=O)[nH][nH]c1=C1CC1
InChIInChI=1S/C11H12N4O/c1-6-8(5-12-13-6)4-9-10(7-2-3-7)14-15-11(9)16/h4-5,14H,2-3H2,1H3,(H,12,13)(H,15,16)
InChIKeyRMVNHVSFWFWOFQ-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.49
Rot. Bonds1

About 5-cyclopropylidene-4-[(5-methyl-1H-pyrazol-4-yl)methylidene]pyrazolidin-3-one

5-cyclopropylidene-4-[(5-methyl-1H-pyrazol-4-yl)methylidene]pyrazolidin-3-one (PubChem CID 90887960) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-cyclopropylidene-4-[(5-methyl-1H-pyrazol-4-yl)methylidene]pyrazolidin-3-one.

Molecular Properties

Compound Name5-cyclopropylidene-4-[(5-methyl-1H-pyrazol-4-yl)methylidene]pyrazolidin-3-one
PubChem CID90887960
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name5-cyclopropylidene-4-[(5-methyl-1H-pyrazol-4-yl)methylidene]pyrazolidin-3-one
SMILESCc1[nH]ncc1C=c1c(=O)[nH][nH]c1=C1CC1
InChIInChI=1S/C11H12N4O/c1-6-8(5-12-13-6)4-9-10(7-2-3-7)14-15-11(9)16/h4-5,14H,2-3H2,1H3,(H,12,13)(H,15,16)
InChIKeyRMVNHVSFWFWOFQ-UHFFFAOYSA-N
XLogP-0.49
TPSA77.33 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropylidene-4-[(5-methyl-1H-pyrazol-4-yl)methylidene]pyrazolidin-3-one?
The IUPAC name of 5-cyclopropylidene-4-[(5-methyl-1H-pyrazol-4-yl)methylidene]pyrazolidin-3-one (CID 90887960) is 5-cyclopropylidene-4-[(5-methyl-1H-pyrazol-4-yl)methylidene]pyrazolidin-3-one.
What is the SMILES notation for 5-cyclopropylidene-4-[(5-methyl-1H-pyrazol-4-yl)methylidene]pyrazolidin-3-one?
The canonical SMILES for 5-cyclopropylidene-4-[(5-methyl-1H-pyrazol-4-yl)methylidene]pyrazolidin-3-one is Cc1[nH]ncc1C=c1c(=O)[nH][nH]c1=C1CC1.
What is the InChIKey of 5-cyclopropylidene-4-[(5-methyl-1H-pyrazol-4-yl)methylidene]pyrazolidin-3-one?
The InChIKey is RMVNHVSFWFWOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-6-8(5-12-13-6)4-9-10(7-2-3-7)14-15-11(9)16/h4-5,14H,2-3H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 5-cyclopropylidene-4-[(5-methyl-1H-pyrazol-4-yl)methylidene]pyrazolidin-3-one?
5-cyclopropylidene-4-[(5-methyl-1H-pyrazol-4-yl)methylidene]pyrazolidin-3-one has a molecular weight of 216.24 g/mol, XLogP of -0.49, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropylidene-4-[(5-methyl-1H-pyrazol-4-yl)methylidene]pyrazolidin-3-one is sourced from PubChem (CID 90887960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).