2-fluoro-6-hydroxy-N-[1-(3-methoxypropyl)pyrazol-3-yl]benzamide

C14H16FN3O3 — CID 100616220

IUPAC2-fluoro-6-hydroxy-N-[1-(3-methoxypropyl)pyrazol-3-yl]benzamide
SMILESCOCCCn1ccc(NC(=O)c2c(O)cccc2F)n1
InChIInChI=1S/C14H16FN3O3/c1-21-9-3-7-18-8-6-12(17-18)16-14(20)13-10(15)4-2-5-11(13)19/h2,4-6,8,19H,3,7,9H2,1H3,(H,16,17,20)
InChIKeyKGTIJBROTSQUNC-UHFFFAOYSA-N
MW293.30 g/mol
LogP2.02
Rot. Bonds6

About 2-fluoro-6-hydroxy-N-[1-(3-methoxypropyl)pyrazol-3-yl]benzamide

2-fluoro-6-hydroxy-N-[1-(3-methoxypropyl)pyrazol-3-yl]benzamide (PubChem CID 100616220) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-[1-(3-methoxypropyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-[1-(3-methoxypropyl)pyrazol-3-yl]benzamide
PubChem CID100616220
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC Name2-fluoro-6-hydroxy-N-[1-(3-methoxypropyl)pyrazol-3-yl]benzamide
SMILESCOCCCn1ccc(NC(=O)c2c(O)cccc2F)n1
InChIInChI=1S/C14H16FN3O3/c1-21-9-3-7-18-8-6-12(17-18)16-14(20)13-10(15)4-2-5-11(13)19/h2,4-6,8,19H,3,7,9H2,1H3,(H,16,17,20)
InChIKeyKGTIJBROTSQUNC-UHFFFAOYSA-N
XLogP2.02
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methoxyethyl)pyrazol-3-yl]acetamide
CID 118519251
2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 17088808
N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(methylamino)acetamide
CID 119767695
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2,6-dimethoxybenzamide
CID 19285747
2-bromo-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide
CID 115678259
2-chloro-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide
CID 51228899
N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-propan-2-ylpiperidine-1-carboxamide
CID 71992095
N-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide
CID 114251339
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044
7-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]heptanamide;hydrochloride
CID 119767680
tert-butyl 4-[[1-(3-methoxypropyl)pyrazol-3-yl]carbamoylamino]-4-methylpentanoate
CID 71852790
2-fluoro-6-hydroxy-N-[3-(methoxymethyl)phenyl]benzamide
CID 104916789

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-[1-(3-methoxypropyl)pyrazol-3-yl]benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-[1-(3-methoxypropyl)pyrazol-3-yl]benzamide (CID 100616220) is 2-fluoro-6-hydroxy-N-[1-(3-methoxypropyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-[1-(3-methoxypropyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-[1-(3-methoxypropyl)pyrazol-3-yl]benzamide is COCCCn1ccc(NC(=O)c2c(O)cccc2F)n1.
What is the InChIKey of 2-fluoro-6-hydroxy-N-[1-(3-methoxypropyl)pyrazol-3-yl]benzamide?
The InChIKey is KGTIJBROTSQUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3/c1-21-9-3-7-18-8-6-12(17-18)16-14(20)13-10(15)4-2-5-11(13)19/h2,4-6,8,19H,3,7,9H2,1H3,(H,16,17,20).
What are the key properties of 2-fluoro-6-hydroxy-N-[1-(3-methoxypropyl)pyrazol-3-yl]benzamide?
2-fluoro-6-hydroxy-N-[1-(3-methoxypropyl)pyrazol-3-yl]benzamide has a molecular weight of 293.30 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-[1-(3-methoxypropyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 100616220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).