3-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide

C16H20FN3O — CID 91785576

IUPAC3-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
SMILESCn1cc(CCCNC(=O)CCc2cccc(F)c2)cn1
InChIInChI=1S/C16H20FN3O/c1-20-12-14(11-19-20)5-3-9-18-16(21)8-7-13-4-2-6-15(17)10-13/h2,4,6,10-12H,3,5,7-9H2,1H3,(H,18,21)
InChIKeyGELQPODCLNMIGZ-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.24
Rot. Bonds7

About 3-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide

3-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide (PubChem CID 91785576) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
PubChem CID91785576
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name3-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
SMILESCn1cc(CCCNC(=O)CCc2cccc(F)c2)cn1
InChIInChI=1S/C16H20FN3O/c1-20-12-14(11-19-20)5-3-9-18-16(21)8-7-13-4-2-6-15(17)10-13/h2,4,6,10-12H,3,5,7-9H2,1H3,(H,18,21)
InChIKeyGELQPODCLNMIGZ-UHFFFAOYSA-N
XLogP2.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(1-methylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 119234671
1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007220
(2R)-4-(3-fluorophenyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 96559898
N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 118770019
1-[2-(3-fluorophenyl)ethyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111457977
1-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 91779798
3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide
CID 110418848
2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide
CID 122131776
6-[3-(1-methylpyrazol-4-yl)propylcarbamoyl]pyridine-2-carboxylic acid
CID 119184013
4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 80686901
N-(2-amino-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 126583805
3-bromo-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
CID 52869461

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide (CID 91785576) is 3-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide is Cn1cc(CCCNC(=O)CCc2cccc(F)c2)cn1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide?
The InChIKey is GELQPODCLNMIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-20-12-14(11-19-20)5-3-9-18-16(21)8-7-13-4-2-6-15(17)10-13/h2,4,6,10-12H,3,5,7-9H2,1H3,(H,18,21).
What are the key properties of 3-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide?
3-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide has a molecular weight of 289.35 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide is sourced from PubChem (CID 91785576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).