5-(2,2,3,3-tetramethylcyclopropyl)-1,2-dihydropyrazol-3-one

C10H16N2O — CID 91045632

IUPAC5-(2,2,3,3-tetramethylcyclopropyl)-1,2-dihydropyrazol-3-one
SMILESCC1(C)C(c2cc(=O)[nH][nH]2)C1(C)C
InChIInChI=1S/C10H16N2O/c1-9(2)8(10(9,3)4)6-5-7(13)12-11-6/h5,8H,1-4H3,(H2,11,12,13)
InChIKeyNARBGRFFBRZGFM-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.85
Rot. Bonds1

About 5-(2,2,3,3-tetramethylcyclopropyl)-1,2-dihydropyrazol-3-one

5-(2,2,3,3-tetramethylcyclopropyl)-1,2-dihydropyrazol-3-one (PubChem CID 91045632) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-(2,2,3,3-tetramethylcyclopropyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(2,2,3,3-tetramethylcyclopropyl)-1,2-dihydropyrazol-3-one
PubChem CID91045632
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-(2,2,3,3-tetramethylcyclopropyl)-1,2-dihydropyrazol-3-one
SMILESCC1(C)C(c2cc(=O)[nH][nH]2)C1(C)C
InChIInChI=1S/C10H16N2O/c1-9(2)8(10(9,3)4)6-5-7(13)12-11-6/h5,8H,1-4H3,(H2,11,12,13)
InChIKeyNARBGRFFBRZGFM-UHFFFAOYSA-N
XLogP1.85
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,3,3-tetramethylcyclopropyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(2,2,3,3-tetramethylcyclopropyl)-1,2-dihydropyrazol-3-one (CID 91045632) is 5-(2,2,3,3-tetramethylcyclopropyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(2,2,3,3-tetramethylcyclopropyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(2,2,3,3-tetramethylcyclopropyl)-1,2-dihydropyrazol-3-one is CC1(C)C(c2cc(=O)[nH][nH]2)C1(C)C.
What is the InChIKey of 5-(2,2,3,3-tetramethylcyclopropyl)-1,2-dihydropyrazol-3-one?
The InChIKey is NARBGRFFBRZGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-9(2)8(10(9,3)4)6-5-7(13)12-11-6/h5,8H,1-4H3,(H2,11,12,13).
What are the key properties of 5-(2,2,3,3-tetramethylcyclopropyl)-1,2-dihydropyrazol-3-one?
5-(2,2,3,3-tetramethylcyclopropyl)-1,2-dihydropyrazol-3-one has a molecular weight of 180.25 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,3,3-tetramethylcyclopropyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 91045632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).