N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-methylpropanamide

C15H18FN3O — CID 42686254

IUPACN-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-methylpropanamide
SMILESCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)C(C)C
InChIInChI=1S/C15H18FN3O/c1-4-12-14(17-15(20)9(2)3)13(19-18-12)10-6-5-7-11(16)8-10/h5-9H,4H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyGQITXAIVVKGQIX-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.37
Rot. Bonds4

About N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-methylpropanamide

N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-methylpropanamide (PubChem CID 42686254) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-methylpropanamide
PubChem CID42686254
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-methylpropanamide
SMILESCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)C(C)C
InChIInChI=1S/C15H18FN3O/c1-4-12-14(17-15(20)9(2)3)13(19-18-12)10-6-5-7-11(16)8-10/h5-9H,4H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyGQITXAIVVKGQIX-UHFFFAOYSA-N
XLogP3.37
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.37
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-[2-(6-fluoro-1H-indazol-3-yl)phenyl]propanamide
CID 164612500
N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide
CID 42686249
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]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

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-methylpropanamide?
The IUPAC name of N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-methylpropanamide (CID 42686254) is N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-methylpropanamide is CCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)C(C)C.
What is the InChIKey of N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-methylpropanamide?
The InChIKey is GQITXAIVVKGQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-4-12-14(17-15(20)9(2)3)13(19-18-12)10-6-5-7-11(16)8-10/h5-9H,4H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-methylpropanamide?
N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-methylpropanamide has a molecular weight of 275.33 g/mol, XLogP of 3.37, 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]-2-methylpropanamide is sourced from PubChem (CID 42686254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).