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

C15H18FN3O — CID 42686302

IUPACN-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]propanamide
SMILESCCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)CC
InChIInChI=1S/C15H18FN3O/c1-3-6-12-15(17-13(20)4-2)14(19-18-12)10-7-5-8-11(16)9-10/h5,7-9H,3-4,6H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyORLXOGPHYSMWKW-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.52
Rot. Bonds5

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

N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]propanamide (PubChem CID 42686302) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]propanamide
PubChem CID42686302
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]propanamide
SMILESCCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)CC
InChIInChI=1S/C15H18FN3O/c1-3-6-12-15(17-13(20)4-2)14(19-18-12)10-7-5-8-11(16)9-10/h5,7-9H,3-4,6H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyORLXOGPHYSMWKW-UHFFFAOYSA-N
XLogP3.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Ripazepam
CID 33474
N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxyacetamide
CID 42686616
N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]propanamide
CID 164612500
N-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 20918276
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-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide
CID 42686272
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]propanamide?
The IUPAC name of N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]propanamide (CID 42686302) is N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]propanamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]propanamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]propanamide is CCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)CC.
What is the InChIKey of N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]propanamide?
The InChIKey is ORLXOGPHYSMWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-3-6-12-15(17-13(20)4-2)14(19-18-12)10-7-5-8-11(16)9-10/h5,7-9H,3-4,6H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]propanamide?
N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]propanamide has a molecular weight of 275.33 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]propanamide is sourced from PubChem (CID 42686302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).