4-(2-hydroxypropyl)-5-methyl-1,2-dihydropyrazol-3-one

C7H12N2O2 — CID 83675533

IUPAC4-(2-hydroxypropyl)-5-methyl-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1CC(C)O
InChIInChI=1S/C7H12N2O2/c1-4(10)3-6-5(2)8-9-7(6)11/h4,10H,3H2,1-2H3,(H2,8,9,11)
InChIKeyDXFYHFIQFUOJEI-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.07
Rot. Bonds2

About 4-(2-hydroxypropyl)-5-methyl-1,2-dihydropyrazol-3-one

4-(2-hydroxypropyl)-5-methyl-1,2-dihydropyrazol-3-one (PubChem CID 83675533) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4-(2-hydroxypropyl)-5-methyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-(2-hydroxypropyl)-5-methyl-1,2-dihydropyrazol-3-one
PubChem CID83675533
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name4-(2-hydroxypropyl)-5-methyl-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1CC(C)O
InChIInChI=1S/C7H12N2O2/c1-4(10)3-6-5(2)8-9-7(6)11/h4,10H,3H2,1-2H3,(H2,8,9,11)
InChIKeyDXFYHFIQFUOJEI-UHFFFAOYSA-N
XLogP-0.07
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropyl)-5-methyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-(2-hydroxypropyl)-5-methyl-1,2-dihydropyrazol-3-one (CID 83675533) is 4-(2-hydroxypropyl)-5-methyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-(2-hydroxypropyl)-5-methyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-(2-hydroxypropyl)-5-methyl-1,2-dihydropyrazol-3-one is Cc1[nH][nH]c(=O)c1CC(C)O.
What is the InChIKey of 4-(2-hydroxypropyl)-5-methyl-1,2-dihydropyrazol-3-one?
The InChIKey is DXFYHFIQFUOJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-4(10)3-6-5(2)8-9-7(6)11/h4,10H,3H2,1-2H3,(H2,8,9,11).
What are the key properties of 4-(2-hydroxypropyl)-5-methyl-1,2-dihydropyrazol-3-one?
4-(2-hydroxypropyl)-5-methyl-1,2-dihydropyrazol-3-one has a molecular weight of 156.18 g/mol, XLogP of -0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropyl)-5-methyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 83675533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).