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

C15H16FN3O — CID 42686272

IUPACN-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide
SMILESCCC(=O)Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1
InChIInChI=1S/C15H16FN3O/c1-2-12(20)17-15-13(9-6-7-9)18-19-14(15)10-4-3-5-11(16)8-10/h3-5,8-9H,2,6-7H2,1H3,(H,17,20)(H,18,19)
InChIKeyOYYQYJCWCPSENY-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.44
Rot. Bonds4

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

N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide (PubChem CID 42686272) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide
PubChem CID42686272
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC NameN-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide
SMILESCCC(=O)Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1
InChIInChI=1S/C15H16FN3O/c1-2-12(20)17-15-13(9-6-7-9)18-19-14(15)10-4-3-5-11(16)8-10/h3-5,8-9H,2,6-7H2,1H3,(H,17,20)(H,18,19)
InChIKeyOYYQYJCWCPSENY-UHFFFAOYSA-N
XLogP3.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxyacetamide
CID 42686616
N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide
CID 42686249
N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-methylpropanamide
CID 42686254
N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]acetamide
CID 42686255
N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]propanamide
CID 42686302
N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide
CID 42686308
3,3-Dimethyl-N-{5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-YL}butanamide
CID 42686494
N-{5-Methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-YL}cyclopentanecarboxamide
CID 42686500
3-Methyl-N-{5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-YL}butanamide
CID 42686503
N-{5-Propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-YL}propanamide
CID 42686560
2-Methyl-N-{5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-YL}propanamide
CID 42686566
methyl N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]carbamate
CID 42686579

Frequently Asked Questions

What is the IUPAC name of N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide?
The IUPAC name of N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide (CID 42686272) is N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide.
What is the SMILES notation for N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide?
The canonical SMILES for N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide is CCC(=O)Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1.
What is the InChIKey of N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide?
The InChIKey is OYYQYJCWCPSENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-2-12(20)17-15-13(9-6-7-9)18-19-14(15)10-4-3-5-11(16)8-10/h3-5,8-9H,2,6-7H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide?
N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide has a molecular weight of 273.31 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide is sourced from PubChem (CID 42686272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).