3-cyclopropyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide

C17H20FN3O — CID 50948971

IUPAC3-cyclopropyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide
SMILESCN(Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)CCC1CC1
InChIInChI=1S/C17H20FN3O/c1-21(16(22)9-4-12-2-3-12)11-14-10-19-20-17(14)13-5-7-15(18)8-6-13/h5-8,10,12H,2-4,9,11H2,1H3,(H,19,20)
InChIKeyVNLIKDBDMXLTHB-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.36
Rot. Bonds6

About 3-cyclopropyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide

3-cyclopropyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide (PubChem CID 50948971) has the molecular formula C17H20FN3O and a molecular weight of 301.36 g/mol. Its IUPAC name is 3-cyclopropyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide
PubChem CID50948971
Molecular FormulaC17H20FN3O
Molecular Weight301.36 g/mol
Exact Mass301.16
IUPAC Name3-cyclopropyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide
SMILESCN(Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)CCC1CC1
InChIInChI=1S/C17H20FN3O/c1-21(16(22)9-4-12-2-3-12)11-14-10-19-20-17(14)13-5-7-15(18)8-6-13/h5-8,10,12H,2-4,9,11H2,1H3,(H,19,20)
InChIKeyVNLIKDBDMXLTHB-UHFFFAOYSA-N
XLogP3.36
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide?
The IUPAC name of 3-cyclopropyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide (CID 50948971) is 3-cyclopropyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide.
What is the SMILES notation for 3-cyclopropyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide?
The canonical SMILES for 3-cyclopropyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide is CN(Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)CCC1CC1.
What is the InChIKey of 3-cyclopropyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide?
The InChIKey is VNLIKDBDMXLTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-21(16(22)9-4-12-2-3-12)11-14-10-19-20-17(14)13-5-7-15(18)8-6-13/h5-8,10,12H,2-4,9,11H2,1H3,(H,19,20).
What are the key properties of 3-cyclopropyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide?
3-cyclopropyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide has a molecular weight of 301.36 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropanamide is sourced from PubChem (CID 50948971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).