10-[3-(difluoromethyl)-1-methylpyrazol-4-yl]decanoic acid

C15H24F2N2O2 — CID 151496225

IUPAC10-[3-(difluoromethyl)-1-methylpyrazol-4-yl]decanoic acid
SMILESCn1cc(CCCCCCCCCC(=O)O)c(C(F)F)n1
InChIInChI=1S/C15H24F2N2O2/c1-19-11-12(14(18-19)15(16)17)9-7-5-3-2-4-6-8-10-13(20)21/h11,15H,2-10H2,1H3,(H,20,21)
InChIKeyPPMCCAYHWFWLSC-UHFFFAOYSA-N
MW302.36 g/mol
LogP4.11
Rot. Bonds11

About 10-[3-(difluoromethyl)-1-methylpyrazol-4-yl]decanoic acid

10-[3-(difluoromethyl)-1-methylpyrazol-4-yl]decanoic acid (PubChem CID 151496225) has the molecular formula C15H24F2N2O2 and a molecular weight of 302.36 g/mol. Its IUPAC name is 10-[3-(difluoromethyl)-1-methylpyrazol-4-yl]decanoic acid.

Molecular Properties

Compound Name10-[3-(difluoromethyl)-1-methylpyrazol-4-yl]decanoic acid
PubChem CID151496225
Molecular FormulaC15H24F2N2O2
Molecular Weight302.36 g/mol
Exact Mass302.18
IUPAC Name10-[3-(difluoromethyl)-1-methylpyrazol-4-yl]decanoic acid
SMILESCn1cc(CCCCCCCCCC(=O)O)c(C(F)F)n1
InChIInChI=1S/C15H24F2N2O2/c1-19-11-12(14(18-19)15(16)17)9-7-5-3-2-4-6-8-10-13(20)21/h11,15H,2-10H2,1H3,(H,20,21)
InChIKeyPPMCCAYHWFWLSC-UHFFFAOYSA-N
XLogP4.11
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)propanoic acid
CID 6485397
1-methyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 82409133
1-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 83414588
2-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid
CID 83906436
3-(1,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 19616562
3-(1,3-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 19621371
3-(1-methyl-4,5,6,7-tetrahydro-1H-indazol-6-yl)propanoic acid
CID 82395372
2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridin-3-yl}acetic acid
CID 83875355
1-ethyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 84720322
2-[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]propanoic acid
CID 155937641
(2S)-4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid
CID 124510723
(2S)-3-cyclopentyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 58437113

Frequently Asked Questions

What is the IUPAC name of 10-[3-(difluoromethyl)-1-methylpyrazol-4-yl]decanoic acid?
The IUPAC name of 10-[3-(difluoromethyl)-1-methylpyrazol-4-yl]decanoic acid (CID 151496225) is 10-[3-(difluoromethyl)-1-methylpyrazol-4-yl]decanoic acid.
What is the SMILES notation for 10-[3-(difluoromethyl)-1-methylpyrazol-4-yl]decanoic acid?
The canonical SMILES for 10-[3-(difluoromethyl)-1-methylpyrazol-4-yl]decanoic acid is Cn1cc(CCCCCCCCCC(=O)O)c(C(F)F)n1.
What is the InChIKey of 10-[3-(difluoromethyl)-1-methylpyrazol-4-yl]decanoic acid?
The InChIKey is PPMCCAYHWFWLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2O2/c1-19-11-12(14(18-19)15(16)17)9-7-5-3-2-4-6-8-10-13(20)21/h11,15H,2-10H2,1H3,(H,20,21).
What are the key properties of 10-[3-(difluoromethyl)-1-methylpyrazol-4-yl]decanoic acid?
10-[3-(difluoromethyl)-1-methylpyrazol-4-yl]decanoic acid has a molecular weight of 302.36 g/mol, XLogP of 4.11, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(difluoromethyl)-1-methylpyrazol-4-yl]decanoic acid is sourced from PubChem (CID 151496225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).