2-propan-2-yl-1H-pyrazol-5-one

C6H10N2O — CID 22918616

IUPAC2-propan-2-yl-1H-pyrazol-5-one
SMILESCC(C)n1ccc(=O)[nH]1
InChIInChI=1S/C6H10N2O/c1-5(2)8-4-3-6(9)7-8/h3-5H,1-2H3,(H,7,9)
InChIKeyMWKDYFHECTXSQY-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.76
Rot. Bonds1

About 2-propan-2-yl-1H-pyrazol-5-one

2-propan-2-yl-1H-pyrazol-5-one (PubChem CID 22918616) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-propan-2-yl-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-propan-2-yl-1H-pyrazol-5-one
PubChem CID22918616
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-propan-2-yl-1H-pyrazol-5-one
SMILESCC(C)n1ccc(=O)[nH]1
InChIInChI=1S/C6H10N2O/c1-5(2)8-4-3-6(9)7-8/h3-5H,1-2H3,(H,7,9)
InChIKeyMWKDYFHECTXSQY-UHFFFAOYSA-N
XLogP0.76
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-1H-pyrazol-5-ol
CID 10986160
1-methyl-1H-pyrazol-3-ol
CID 11423563
1-ethyl-1H-pyrazol-3-ol
CID 10931394
1-methyl-1H-pyrazol-5-ol hydrochloride
CID 12251618
1-tert-butyl-1H-pyrazol-3-ol
CID 57898897
1-cyclopropyl-1H-pyrazol-3-ol
CID 70152935
Aminodihydropyrazolone
CID 44149216
1-(prop-2-yn-1-yl)-2,3-dihydro-1H-pyrazol-3-one
CID 151460315
1-ethyl-1H-pyrazol-5-ol
CID 10313108
d2-1-Methylpyrazolin-5-one
CID 129766688
1-isopropyl-1H-pyrazol-5-ol
CID 11378494
2-ethenyl-1H-pyrazol-3-one
CID 18668438

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-pyrazol-5-one?
The IUPAC name of 2-propan-2-yl-1H-pyrazol-5-one (CID 22918616) is 2-propan-2-yl-1H-pyrazol-5-one.
What is the SMILES notation for 2-propan-2-yl-1H-pyrazol-5-one?
The canonical SMILES for 2-propan-2-yl-1H-pyrazol-5-one is CC(C)n1ccc(=O)[nH]1.
What is the InChIKey of 2-propan-2-yl-1H-pyrazol-5-one?
The InChIKey is MWKDYFHECTXSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5(2)8-4-3-6(9)7-8/h3-5H,1-2H3,(H,7,9).
What are the key properties of 2-propan-2-yl-1H-pyrazol-5-one?
2-propan-2-yl-1H-pyrazol-5-one has a molecular weight of 126.16 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1H-pyrazol-5-one is sourced from PubChem (CID 22918616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).