7-[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]amino]heptanoic acid

C18H23N3O4 — CID 119227287

IUPAC7-[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]amino]heptanoic acid
SMILESCOc1ccc(-c2[nH]ncc2C(=O)NCCCCCCC(=O)O)cc1
InChIInChI=1S/C18H23N3O4/c1-25-14-9-7-13(8-10-14)17-15(12-20-21-17)18(24)19-11-5-3-2-4-6-16(22)23/h7-10,12H,2-6,11H2,1H3,(H,19,24)(H,20,21)(H,22,23)
InChIKeyPFXUVHSLOQXDAB-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.85
Rot. Bonds10

About 7-[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]amino]heptanoic acid

7-[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]amino]heptanoic acid (PubChem CID 119227287) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 7-[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]amino]heptanoic acid
PubChem CID119227287
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name7-[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]amino]heptanoic acid
SMILESCOc1ccc(-c2[nH]ncc2C(=O)NCCCCCCC(=O)O)cc1
InChIInChI=1S/C18H23N3O4/c1-25-14-9-7-13(8-10-14)17-15(12-20-21-17)18(24)19-11-5-3-2-4-6-16(22)23/h7-10,12H,2-6,11H2,1H3,(H,19,24)(H,20,21)(H,22,23)
InChIKeyPFXUVHSLOQXDAB-UHFFFAOYSA-N
XLogP2.85
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119405997
N-[4-(4-fluorophenoxy)butyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 78834599
methyl 6-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]hexanoate
CID 29493001
5-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide
CID 86916114
3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 43354670
7-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]heptanoic acid
CID 119350793
methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 60712516
6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid
CID 119220256
6-[(5-amino-1H-pyrazole-4-carbonyl)amino]hexanoic acid
CID 110484163
5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide
CID 16599389
N-[(1-hydroxycyclohexyl)methyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 111485817
5-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)-1H-pyrazole-4-carboxamide
CID 78836646

Frequently Asked Questions

What is the IUPAC name of 7-[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]amino]heptanoic acid?
The IUPAC name of 7-[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]amino]heptanoic acid (CID 119227287) is 7-[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]amino]heptanoic acid?
The canonical SMILES for 7-[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]amino]heptanoic acid is COc1ccc(-c2[nH]ncc2C(=O)NCCCCCCC(=O)O)cc1.
What is the InChIKey of 7-[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]amino]heptanoic acid?
The InChIKey is PFXUVHSLOQXDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-25-14-9-7-13(8-10-14)17-15(12-20-21-17)18(24)19-11-5-3-2-4-6-16(22)23/h7-10,12H,2-6,11H2,1H3,(H,19,24)(H,20,21)(H,22,23).
What are the key properties of 7-[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]amino]heptanoic acid?
7-[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]amino]heptanoic acid has a molecular weight of 345.40 g/mol, XLogP of 2.85, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]amino]heptanoic acid is sourced from PubChem (CID 119227287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).