6-[[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid

C16H17Cl2N3O3 — CID 119220055

IUPAC6-[[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H17Cl2N3O3/c17-12-6-5-11(10-13(12)18)21-9-7-14(20-21)16(24)19-8-3-1-2-4-15(22)23/h5-7,9-10H,1-4,8H2,(H,19,24)(H,22,23)
InChIKeyNAYCFFKZJZTFQR-UHFFFAOYSA-N
MW370.24 g/mol
LogP3.55
Rot. Bonds8

About 6-[[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid

6-[[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid (PubChem CID 119220055) has the molecular formula C16H17Cl2N3O3 and a molecular weight of 370.24 g/mol. Its IUPAC name is 6-[[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid
PubChem CID119220055
Molecular FormulaC16H17Cl2N3O3
Molecular Weight370.24 g/mol
Exact Mass369.06
IUPAC Name6-[[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H17Cl2N3O3/c17-12-6-5-11(10-13(12)18)21-9-7-14(20-21)16(24)19-8-3-1-2-4-15(22)23/h5-7,9-10H,1-4,8H2,(H,19,24)(H,22,23)
InChIKeyNAYCFFKZJZTFQR-UHFFFAOYSA-N
XLogP3.55
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 53.55
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
7-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]heptanoic acid
CID 120524082
N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
CID 106843256
N-(6-chloropyridazin-3-yl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxamide
CID 99123185
7-[[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]heptanoic acid
CID 120524080
3-[[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119228450
1-(3,4-dichlorophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide;hydrochloride
CID 119387434
N-(1-amino-4-methylpentan-2-yl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119586641
7-[(5-bromo-2-chlorobenzoyl)amino]heptanoic acid
CID 43240050
1-(3-chlorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-3-carboxamide
CID 55924272
6-[[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]amino]hexanoic acid
CID 119352202
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid?
The IUPAC name of 6-[[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid (CID 119220055) is 6-[[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid?
The canonical SMILES for 6-[[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid is O=C(O)CCCCCNC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 6-[[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid?
The InChIKey is NAYCFFKZJZTFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O3/c17-12-6-5-11(10-13(12)18)21-9-7-14(20-21)16(24)19-8-3-1-2-4-15(22)23/h5-7,9-10H,1-4,8H2,(H,19,24)(H,22,23).
What are the key properties of 6-[[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid?
6-[[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid has a molecular weight of 370.24 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 119220055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).