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

C14H16FN3O — CID 42686249

IUPACN-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide
SMILESCCC(=O)Nc1c(-c2cccc(F)c2)n[nH]c1CC
InChIInChI=1S/C14H16FN3O/c1-3-11-14(16-12(19)4-2)13(18-17-11)9-6-5-7-10(15)8-9/h5-8H,3-4H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyBLYKGZZRBLMAPQ-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.13
Rot. Bonds4

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

N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide (PubChem CID 42686249) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide
PubChem CID42686249
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide
SMILESCCC(=O)Nc1c(-c2cccc(F)c2)n[nH]c1CC
InChIInChI=1S/C14H16FN3O/c1-3-11-14(16-12(19)4-2)13(18-17-11)9-6-5-7-10(15)8-9/h5-8H,3-4H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyBLYKGZZRBLMAPQ-UHFFFAOYSA-N
XLogP3.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide?
The IUPAC name of N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide (CID 42686249) is N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide.
What is the SMILES notation for N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide?
The canonical SMILES for N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide is CCC(=O)Nc1c(-c2cccc(F)c2)n[nH]c1CC.
What is the InChIKey of N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide?
The InChIKey is BLYKGZZRBLMAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-3-11-14(16-12(19)4-2)13(18-17-11)9-6-5-7-10(15)8-9/h5-8H,3-4H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide?
N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide has a molecular weight of 261.30 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide is sourced from PubChem (CID 42686249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).