7-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]heptanoic acid

C18H22FN3O3 — CID 120524082

IUPAC7-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]heptanoic acid
SMILESCc1cc(F)ccc1-n1ccc(C(=O)NCCCCCCC(=O)O)n1
InChIInChI=1S/C18H22FN3O3/c1-13-12-14(19)7-8-16(13)22-11-9-15(21-22)18(25)20-10-5-3-2-4-6-17(23)24/h7-9,11-12H,2-6,10H2,1H3,(H,20,25)(H,23,24)
InChIKeyBUJUYNFTZBOCMW-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.08
Rot. Bonds9

About 7-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]heptanoic acid

7-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]heptanoic acid (PubChem CID 120524082) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is 7-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]heptanoic acid
PubChem CID120524082
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name7-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]heptanoic acid
SMILESCc1cc(F)ccc1-n1ccc(C(=O)NCCCCCCC(=O)O)n1
InChIInChI=1S/C18H22FN3O3/c1-13-12-14(19)7-8-16(13)22-11-9-15(21-22)18(25)20-10-5-3-2-4-6-17(23)24/h7-9,11-12H,2-6,10H2,1H3,(H,20,25)(H,23,24)
InChIKeyBUJUYNFTZBOCMW-UHFFFAOYSA-N
XLogP3.08
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid
CID 119219679
1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 28974076
N-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
CID 87073349
1-(4-fluoro-2-methylphenyl)-N-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide
CID 75520053
7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid
CID 62034426
6-[[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid
CID 119220055
6-[(3-methyl-4-pyrazol-1-ylbenzoyl)amino]hexanoic acid
CID 122107628
4-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120524577
1-(4-fluoro-2-methylphenyl)-N-(5-methyl-1H-imidazol-2-yl)pyrazole-3-carboxamide
CID 75484539
N-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38047231
N-(1-carbamoylpyrrolidin-3-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
CID 86787736
6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid
CID 16787400

Frequently Asked Questions

What is the IUPAC name of 7-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]heptanoic acid?
The IUPAC name of 7-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]heptanoic acid (CID 120524082) is 7-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]heptanoic acid?
The canonical SMILES for 7-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]heptanoic acid is Cc1cc(F)ccc1-n1ccc(C(=O)NCCCCCCC(=O)O)n1.
What is the InChIKey of 7-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]heptanoic acid?
The InChIKey is BUJUYNFTZBOCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-13-12-14(19)7-8-16(13)22-11-9-15(21-22)18(25)20-10-5-3-2-4-6-17(23)24/h7-9,11-12H,2-6,10H2,1H3,(H,20,25)(H,23,24).
What are the key properties of 7-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]heptanoic acid?
7-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]heptanoic acid has a molecular weight of 347.39 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]heptanoic acid is sourced from PubChem (CID 120524082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).