3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide

C14H16FN3O2 — CID 37393720

IUPAC3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)NCCCn2cccn2)cc1F
InChIInChI=1S/C14H16FN3O2/c1-20-13-5-4-11(10-12(13)15)14(19)16-6-2-8-18-9-3-7-17-18/h3-5,7,9-10H,2,6,8H2,1H3,(H,16,19)
InChIKeyOJCNKMZJOUPQIO-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.85
Rot. Bonds6

About 3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide

3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide (PubChem CID 37393720) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
PubChem CID37393720
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)NCCCn2cccn2)cc1F
InChIInChI=1S/C14H16FN3O2/c1-20-13-5-4-11(10-12(13)15)14(19)16-6-2-8-18-9-3-7-17-18/h3-5,7,9-10H,2,6,8H2,1H3,(H,16,19)
InChIKeyOJCNKMZJOUPQIO-UHFFFAOYSA-N
XLogP1.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394118
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(3-pyrazol-1-ylpropyl)urea
CID 94168661
3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 56852480
N-(4-bromobutyl)-3-fluoro-4-methoxybenzamide
CID 106845988
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide
CID 99610658
3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393677
1-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111903938
3-fluoro-4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 35416969
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-fluoro-4-methoxybenzamide
CID 37096433
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide (CID 37393720) is 3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide is COc1ccc(C(=O)NCCCn2cccn2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide?
The InChIKey is OJCNKMZJOUPQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-20-13-5-4-11(10-12(13)15)14(19)16-6-2-8-18-9-3-7-17-18/h3-5,7,9-10H,2,6,8H2,1H3,(H,16,19).
What are the key properties of 3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide?
3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide has a molecular weight of 277.30 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide is sourced from PubChem (CID 37393720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).