7-methyl-5-phenyl-5-(1H-pyrazol-4-yl)octanoic acid

C18H24N2O2 — CID 69015631

IUPAC7-methyl-5-phenyl-5-(1H-pyrazol-4-yl)octanoic acid
SMILESCC(C)CC(CCCC(=O)O)(c1ccccc1)c1cn[nH]c1
InChIInChI=1S/C18H24N2O2/c1-14(2)11-18(10-6-9-17(21)22,16-12-19-20-13-16)15-7-4-3-5-8-15/h3-5,7-8,12-14H,6,9-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyVPSUUUHYZQNFMR-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.00
Rot. Bonds8

About 7-methyl-5-phenyl-5-(1H-pyrazol-4-yl)octanoic acid

7-methyl-5-phenyl-5-(1H-pyrazol-4-yl)octanoic acid (PubChem CID 69015631) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 7-methyl-5-phenyl-5-(1H-pyrazol-4-yl)octanoic acid.

Molecular Properties

Compound Name7-methyl-5-phenyl-5-(1H-pyrazol-4-yl)octanoic acid
PubChem CID69015631
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name7-methyl-5-phenyl-5-(1H-pyrazol-4-yl)octanoic acid
SMILESCC(C)CC(CCCC(=O)O)(c1ccccc1)c1cn[nH]c1
InChIInChI=1S/C18H24N2O2/c1-14(2)11-18(10-6-9-17(21)22,16-12-19-20-13-16)15-7-4-3-5-8-15/h3-5,7-8,12-14H,6,9-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyVPSUUUHYZQNFMR-UHFFFAOYSA-N
XLogP4.00
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-phenyl-5-(1H-pyrazol-4-yl)octanoic acid?
The IUPAC name of 7-methyl-5-phenyl-5-(1H-pyrazol-4-yl)octanoic acid (CID 69015631) is 7-methyl-5-phenyl-5-(1H-pyrazol-4-yl)octanoic acid.
What is the SMILES notation for 7-methyl-5-phenyl-5-(1H-pyrazol-4-yl)octanoic acid?
The canonical SMILES for 7-methyl-5-phenyl-5-(1H-pyrazol-4-yl)octanoic acid is CC(C)CC(CCCC(=O)O)(c1ccccc1)c1cn[nH]c1.
What is the InChIKey of 7-methyl-5-phenyl-5-(1H-pyrazol-4-yl)octanoic acid?
The InChIKey is VPSUUUHYZQNFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-14(2)11-18(10-6-9-17(21)22,16-12-19-20-13-16)15-7-4-3-5-8-15/h3-5,7-8,12-14H,6,9-11H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 7-methyl-5-phenyl-5-(1H-pyrazol-4-yl)octanoic acid?
7-methyl-5-phenyl-5-(1H-pyrazol-4-yl)octanoic acid has a molecular weight of 300.40 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-phenyl-5-(1H-pyrazol-4-yl)octanoic acid is sourced from PubChem (CID 69015631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).