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

C19H18FN3O2 — CID 42686263

IUPACN-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-methoxybenzamide
SMILESCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1cccc(OC)c1
InChIInChI=1S/C19H18FN3O2/c1-3-16-18(17(23-22-16)12-6-4-8-14(20)10-12)21-19(24)13-7-5-9-15(11-13)25-2/h4-11H,3H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyKYSPVZFPPANYNE-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.04
Rot. Bonds5

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

N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-methoxybenzamide (PubChem CID 42686263) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-methoxybenzamide
PubChem CID42686263
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-methoxybenzamide
SMILESCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1cccc(OC)c1
InChIInChI=1S/C19H18FN3O2/c1-3-16-18(17(23-22-16)12-6-4-8-14(20)10-12)21-19(24)13-7-5-9-15(11-13)25-2/h4-11H,3H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyKYSPVZFPPANYNE-UHFFFAOYSA-N
XLogP4.04
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-methoxybenzamide?
The IUPAC name of N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-methoxybenzamide (CID 42686263) is N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-methoxybenzamide?
The canonical SMILES for N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-methoxybenzamide is CCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1cccc(OC)c1.
What is the InChIKey of N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-methoxybenzamide?
The InChIKey is KYSPVZFPPANYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-3-16-18(17(23-22-16)12-6-4-8-14(20)10-12)21-19(24)13-7-5-9-15(11-13)25-2/h4-11H,3H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-methoxybenzamide?
N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-methoxybenzamide has a molecular weight of 339.37 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-3-methoxybenzamide is sourced from PubChem (CID 42686263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).