7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid

C18H23N3O3 — CID 75405746

IUPAC7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid
SMILESCc1c(C(=O)NCCCCCCC(=O)O)cnn1-c1ccccc1
InChIInChI=1S/C18H23N3O3/c1-14-16(13-20-21(14)15-9-5-4-6-10-15)18(24)19-12-8-3-2-7-11-17(22)23/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3,(H,19,24)(H,22,23)
InChIKeySCZICDVCACVSKH-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.95
Rot. Bonds9

About 7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid

7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid (PubChem CID 75405746) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid
PubChem CID75405746
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid
SMILESCc1c(C(=O)NCCCCCCC(=O)O)cnn1-c1ccccc1
InChIInChI=1S/C18H23N3O3/c1-14-16(13-20-21(14)15-9-5-4-6-10-15)18(24)19-12-8-3-2-7-11-17(22)23/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3,(H,19,24)(H,22,23)
InChIKeySCZICDVCACVSKH-UHFFFAOYSA-N
XLogP2.95
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.95
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

5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 34317853
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
5-methyl-1-phenyl-N-(3-phenylsulfanylpropyl)pyrazole-4-carboxamide
CID 38769023
N-(3-butoxypropyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791814
5-[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]pentanoic acid
CID 119234907
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
N-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 111335159
3-[ethyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 119191202
5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 46139091
5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793376
5-methyl-N-[2-(6-methylimidazo[1,2-b]pyrazol-1-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 91629216
1-(4-bromophenyl)-N-(3-methoxypropyl)-5-methylpyrazole-4-carboxamide
CID 32651721

Frequently Asked Questions

What is the IUPAC name of 7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid (CID 75405746) is 7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid is Cc1c(C(=O)NCCCCCCC(=O)O)cnn1-c1ccccc1.
What is the InChIKey of 7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid?
The InChIKey is SCZICDVCACVSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-14-16(13-20-21(14)15-9-5-4-6-10-15)18(24)19-12-8-3-2-7-11-17(22)23/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3,(H,19,24)(H,22,23).
What are the key properties of 7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid?
7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid has a molecular weight of 329.40 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 75405746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).