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

C8H14N2O — CID 10130071

IUPAC4-methyl-5-(2-methylpropyl)-1,2-dihydropyrazol-3-one
SMILESCc1c(CC(C)C)[nH][nH]c1=O
InChIInChI=1S/C8H14N2O/c1-5(2)4-7-6(3)8(11)10-9-7/h5H,4H2,1-3H3,(H2,9,10,11)
InChIKeyXNWVCQKDIYYRRN-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.21
Rot. Bonds2

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

4-methyl-5-(2-methylpropyl)-1,2-dihydropyrazol-3-one (PubChem CID 10130071) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-methyl-5-(2-methylpropyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-methyl-5-(2-methylpropyl)-1,2-dihydropyrazol-3-one
PubChem CID10130071
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name4-methyl-5-(2-methylpropyl)-1,2-dihydropyrazol-3-one
SMILESCc1c(CC(C)C)[nH][nH]c1=O
InChIInChI=1S/C8H14N2O/c1-5(2)4-7-6(3)8(11)10-9-7/h5H,4H2,1-3H3,(H2,9,10,11)
InChIKeyXNWVCQKDIYYRRN-UHFFFAOYSA-N
XLogP1.21
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-Ethyl-4-methyl-1h-pyrazol-3(2h)-one
CID 58579596
5-Cyclohexyl-4-methyl-1,2-dihydropyrazol-3-one
CID 91485688
4-(2-Aminoethyl)-5-isopropyl-1,2-dihydro-3H-pyrazol-3-one
CID 17390073
4-Fluoro-5-propyl-1,2-dihydropyrazol-3-one
CID 12859027
4-Butyl-5-methylpyrazalone
CID 574166
5-(sec-Butyl)-4-fluoro-1H-pyrazol-3(2H)-one
CID 15446607
4-Propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one
CID 83398736
4-Fluoro-5-propan-2-yl-1,2-dihydropyrazol-3-one
CID 84038579
4-(2-Fluoroethyl)-5-methyl-1,2-dihydropyrazol-3-one
CID 84648938
5-methyl-4-[(Z)-pent-2-enyl]-1,2-dihydropyrazol-3-one
CID 42643979
5-methyl-4-[(E)-pent-2-enyl]-1,2-dihydropyrazol-3-one
CID 42644210
5-Methyl-4-pent-2-ynyl-1,2-dihydropyrazol-3-one
CID 42644211

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methylpropyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-methyl-5-(2-methylpropyl)-1,2-dihydropyrazol-3-one (CID 10130071) is 4-methyl-5-(2-methylpropyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-methyl-5-(2-methylpropyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-methyl-5-(2-methylpropyl)-1,2-dihydropyrazol-3-one is Cc1c(CC(C)C)[nH][nH]c1=O.
What is the InChIKey of 4-methyl-5-(2-methylpropyl)-1,2-dihydropyrazol-3-one?
The InChIKey is XNWVCQKDIYYRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5(2)4-7-6(3)8(11)10-9-7/h5H,4H2,1-3H3,(H2,9,10,11).
What are the key properties of 4-methyl-5-(2-methylpropyl)-1,2-dihydropyrazol-3-one?
4-methyl-5-(2-methylpropyl)-1,2-dihydropyrazol-3-one has a molecular weight of 154.21 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylpropyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 10130071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).