N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-methoxypropanamide

C14H15ClFN3O3 — CID 35591540

IUPACN-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cnn(COc2ccc(F)cc2Cl)c1
InChIInChI=1S/C14H15ClFN3O3/c1-21-5-4-14(20)18-11-7-17-19(8-11)9-22-13-3-2-10(16)6-12(13)15/h2-3,6-8H,4-5,9H2,1H3,(H,18,20)
InChIKeyYSKIUUGFBKJKBI-UHFFFAOYSA-N
MW327.74 g/mol
LogP2.69
Rot. Bonds7

About N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-methoxypropanamide

N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-methoxypropanamide (PubChem CID 35591540) has the molecular formula C14H15ClFN3O3 and a molecular weight of 327.74 g/mol. Its IUPAC name is N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-methoxypropanamide
PubChem CID35591540
Molecular FormulaC14H15ClFN3O3
Molecular Weight327.74 g/mol
Exact Mass327.08
IUPAC NameN-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cnn(COc2ccc(F)cc2Cl)c1
InChIInChI=1S/C14H15ClFN3O3/c1-21-5-4-14(20)18-11-7-17-19(8-11)9-22-13-3-2-10(16)6-12(13)15/h2-3,6-8H,4-5,9H2,1H3,(H,18,20)
InChIKeyYSKIUUGFBKJKBI-UHFFFAOYSA-N
XLogP2.69
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.74
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-methoxypropanamide?
The IUPAC name of N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-methoxypropanamide (CID 35591540) is N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-methoxypropanamide?
The canonical SMILES for N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-methoxypropanamide is COCCC(=O)Nc1cnn(COc2ccc(F)cc2Cl)c1.
What is the InChIKey of N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-methoxypropanamide?
The InChIKey is YSKIUUGFBKJKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O3/c1-21-5-4-14(20)18-11-7-17-19(8-11)9-22-13-3-2-10(16)6-12(13)15/h2-3,6-8H,4-5,9H2,1H3,(H,18,20).
What are the key properties of N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-methoxypropanamide?
N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-methoxypropanamide has a molecular weight of 327.74 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-methoxypropanamide is sourced from PubChem (CID 35591540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).