5-methyl-4-propan-2-yl-1,2-dihydropyrazol-3-one

C7H12N2O — CID 4285009

IUPAC5-methyl-4-propan-2-yl-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1C(C)C
InChIInChI=1S/C7H12N2O/c1-4(2)6-5(3)8-9-7(6)10/h4H,1-3H3,(H2,8,9,10)
InChIKeyATGBRCLYHXIDTH-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.13
Rot. Bonds1

About 5-methyl-4-propan-2-yl-1,2-dihydropyrazol-3-one

5-methyl-4-propan-2-yl-1,2-dihydropyrazol-3-one (PubChem CID 4285009) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 5-methyl-4-propan-2-yl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-methyl-4-propan-2-yl-1,2-dihydropyrazol-3-one
PubChem CID4285009
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name5-methyl-4-propan-2-yl-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1C(C)C
InChIInChI=1S/C7H12N2O/c1-4(2)6-5(3)8-9-7(6)10/h4H,1-3H3,(H2,8,9,10)
InChIKeyATGBRCLYHXIDTH-UHFFFAOYSA-N
XLogP1.13
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propan-2-yl-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-methyl-4-propan-2-yl-1,2-dihydropyrazol-3-one (CID 4285009) is 5-methyl-4-propan-2-yl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-methyl-4-propan-2-yl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-methyl-4-propan-2-yl-1,2-dihydropyrazol-3-one is Cc1[nH][nH]c(=O)c1C(C)C.
What is the InChIKey of 5-methyl-4-propan-2-yl-1,2-dihydropyrazol-3-one?
The InChIKey is ATGBRCLYHXIDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4(2)6-5(3)8-9-7(6)10/h4H,1-3H3,(H2,8,9,10).
What are the key properties of 5-methyl-4-propan-2-yl-1,2-dihydropyrazol-3-one?
5-methyl-4-propan-2-yl-1,2-dihydropyrazol-3-one has a molecular weight of 140.19 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propan-2-yl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 4285009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).