N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-propoxybenzamide

C20H20FN3O2 — CID 17285274

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c1
InChIInChI=1S/C20H20FN3O2/c1-2-10-26-19-5-3-4-16(11-19)20(25)23-18-12-22-24(14-18)13-15-6-8-17(21)9-7-15/h3-9,11-12,14H,2,10,13H2,1H3,(H,23,25)
InChIKeySAAKCEWAJSFOKS-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.11
Rot. Bonds7

About N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-propoxybenzamide

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-propoxybenzamide (PubChem CID 17285274) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-propoxybenzamide
PubChem CID17285274
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c1
InChIInChI=1S/C20H20FN3O2/c1-2-10-26-19-5-3-4-16(11-19)20(25)23-18-12-22-24(14-18)13-15-6-8-17(21)9-7-15/h3-9,11-12,14H,2,10,13H2,1H3,(H,23,25)
InChIKeySAAKCEWAJSFOKS-UHFFFAOYSA-N
XLogP4.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-propoxybenzamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-propoxybenzamide (CID 17285274) is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-propoxybenzamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-propoxybenzamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-propoxybenzamide?
The InChIKey is SAAKCEWAJSFOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-2-10-26-19-5-3-4-16(11-19)20(25)23-18-12-22-24(14-18)13-15-6-8-17(21)9-7-15/h3-9,11-12,14H,2,10,13H2,1H3,(H,23,25).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-propoxybenzamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-propoxybenzamide has a molecular weight of 353.40 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-propoxybenzamide is sourced from PubChem (CID 17285274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).