2-cycloheptyl-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one

C14H20N4O — CID 106714970

IUPAC2-cycloheptyl-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
SMILESCn1cc(C2=NN(C3CCCCCC3)C(=O)C2)cn1
InChIInChI=1S/C14H20N4O/c1-17-10-11(9-15-17)13-8-14(19)18(16-13)12-6-4-2-3-5-7-12/h9-10,12H,2-8H2,1H3
InChIKeyMVJPIXXLRSKXGE-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.08
Rot. Bonds2

About 2-cycloheptyl-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one

2-cycloheptyl-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one (PubChem CID 106714970) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-cycloheptyl-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-cycloheptyl-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
PubChem CID106714970
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-cycloheptyl-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
SMILESCn1cc(C2=NN(C3CCCCCC3)C(=O)C2)cn1
InChIInChI=1S/C14H20N4O/c1-17-10-11(9-15-17)13-8-14(19)18(16-13)12-6-4-2-3-5-7-12/h9-10,12H,2-8H2,1H3
InChIKeyMVJPIXXLRSKXGE-UHFFFAOYSA-N
XLogP2.08
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106714969
2-(4,4-difluorocyclohexyl)-6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one
CID 154781565
2-cyclohexyl-5-propan-2-yl-4H-pyrazol-3-one
CID 55138154
2-(3-methylbutyl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106714974
2-[(3-methylphenyl)methyl]-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106714990
2-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106714991
2-(2-bromophenyl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106714963
2-[(3-bromophenyl)methyl]-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106714997
2-[(3-chlorophenyl)methyl]-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106714994
2-(2,6-dimethylpyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106715009
5-(1-methylpyrazol-4-yl)-2-(4-methyl-2-pyridinyl)-4H-pyrazol-3-one
CID 106714976
2-(2-amino-4-chlorophenyl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106715493

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one?
The IUPAC name of 2-cycloheptyl-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one (CID 106714970) is 2-cycloheptyl-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one.
What is the SMILES notation for 2-cycloheptyl-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one?
The canonical SMILES for 2-cycloheptyl-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one is Cn1cc(C2=NN(C3CCCCCC3)C(=O)C2)cn1.
What is the InChIKey of 2-cycloheptyl-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one?
The InChIKey is MVJPIXXLRSKXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-17-10-11(9-15-17)13-8-14(19)18(16-13)12-6-4-2-3-5-7-12/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-cycloheptyl-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one?
2-cycloheptyl-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one has a molecular weight of 260.34 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one is sourced from PubChem (CID 106714970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).