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

C20H20FN3O2 — CID 42686323

IUPACN-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-3-methoxybenzamide
SMILESCCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1cccc(OC)c1
InChIInChI=1S/C20H20FN3O2/c1-3-6-17-19(18(24-23-17)13-7-4-9-15(21)11-13)22-20(25)14-8-5-10-16(12-14)26-2/h4-5,7-12H,3,6H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyKNQKEVQKCFRKQZ-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.43
Rot. Bonds6

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

N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-3-methoxybenzamide (PubChem CID 42686323) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-3-methoxybenzamide
PubChem CID42686323
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-3-methoxybenzamide
SMILESCCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1cccc(OC)c1
InChIInChI=1S/C20H20FN3O2/c1-3-6-17-19(18(24-23-17)13-7-4-9-15(21)11-13)22-20(25)14-8-5-10-16(12-14)26-2/h4-5,7-12H,3,6H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyKNQKEVQKCFRKQZ-UHFFFAOYSA-N
XLogP4.43
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-3-methoxybenzamide?
The IUPAC name of N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-3-methoxybenzamide (CID 42686323) is N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-3-methoxybenzamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-3-methoxybenzamide is CCCc1[nH]nc(-c2cccc(F)c2)c1NC(=O)c1cccc(OC)c1.
What is the InChIKey of N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-3-methoxybenzamide?
The InChIKey is KNQKEVQKCFRKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-3-6-17-19(18(24-23-17)13-7-4-9-15(21)11-13)22-20(25)14-8-5-10-16(12-14)26-2/h4-5,7-12H,3,6H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-3-methoxybenzamide?
N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-3-methoxybenzamide has a molecular weight of 353.40 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-3-methoxybenzamide is sourced from PubChem (CID 42686323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).