3-chloro-4-[(1-propylpyrazol-4-yl)oxymethyl]benzamide

C14H16ClN3O2 — CID 102670696

IUPAC3-chloro-4-[(1-propylpyrazol-4-yl)oxymethyl]benzamide
SMILESCCCn1cc(OCc2ccc(C(N)=O)cc2Cl)cn1
InChIInChI=1S/C14H16ClN3O2/c1-2-5-18-8-12(7-17-18)20-9-11-4-3-10(14(16)19)6-13(11)15/h3-4,6-8H,2,5,9H2,1H3,(H2,16,19)
InChIKeyMREJDKITGCEWEE-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.62
Rot. Bonds6

About 3-chloro-4-[(1-propylpyrazol-4-yl)oxymethyl]benzamide

3-chloro-4-[(1-propylpyrazol-4-yl)oxymethyl]benzamide (PubChem CID 102670696) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 3-chloro-4-[(1-propylpyrazol-4-yl)oxymethyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[(1-propylpyrazol-4-yl)oxymethyl]benzamide
PubChem CID102670696
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name3-chloro-4-[(1-propylpyrazol-4-yl)oxymethyl]benzamide
SMILESCCCn1cc(OCc2ccc(C(N)=O)cc2Cl)cn1
InChIInChI=1S/C14H16ClN3O2/c1-2-5-18-8-12(7-17-18)20-9-11-4-3-10(14(16)19)6-13(11)15/h3-4,6-8H,2,5,9H2,1H3,(H2,16,19)
InChIKeyMREJDKITGCEWEE-UHFFFAOYSA-N
XLogP2.62
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-[(1-propylpyrazol-4-yl)oxymethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(6-bromo-3-pyridinyl)oxymethyl]-3-chlorobenzamide
CID 107396670
3-chloro-4-[(4-ethylphenoxy)methyl]benzamide
CID 102670675
3-chloro-4-[[4-(hydroxymethyl)phenoxy]methyl]benzamide
CID 102668814
3-chloro-4-[(3-ethylphenoxy)methyl]benzamide
CID 102670676
[3-chloro-4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methanamine
CID 102663627
4-fluoro-2-[(1-propylpyrazol-4-yl)oxymethyl]benzonitrile
CID 107909495
5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]thiophene-2-carboxylic acid
CID 116799971
3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide
CID 43376930
4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide
CID 102663136
3-bromo-4-[(1-ethylpyrazol-4-yl)oxymethyl]benzoic acid
CID 102765633
3-chloro-4-[(2-methylphenoxy)methyl]benzamide
CID 102670666
(4-carbamoyl-2-chlorophenyl)methyl 5-aminopyridine-2-carboxylate
CID 102669607

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(1-propylpyrazol-4-yl)oxymethyl]benzamide?
The IUPAC name of 3-chloro-4-[(1-propylpyrazol-4-yl)oxymethyl]benzamide (CID 102670696) is 3-chloro-4-[(1-propylpyrazol-4-yl)oxymethyl]benzamide.
What is the SMILES notation for 3-chloro-4-[(1-propylpyrazol-4-yl)oxymethyl]benzamide?
The canonical SMILES for 3-chloro-4-[(1-propylpyrazol-4-yl)oxymethyl]benzamide is CCCn1cc(OCc2ccc(C(N)=O)cc2Cl)cn1.
What is the InChIKey of 3-chloro-4-[(1-propylpyrazol-4-yl)oxymethyl]benzamide?
The InChIKey is MREJDKITGCEWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-2-5-18-8-12(7-17-18)20-9-11-4-3-10(14(16)19)6-13(11)15/h3-4,6-8H,2,5,9H2,1H3,(H2,16,19).
What are the key properties of 3-chloro-4-[(1-propylpyrazol-4-yl)oxymethyl]benzamide?
3-chloro-4-[(1-propylpyrazol-4-yl)oxymethyl]benzamide has a molecular weight of 293.75 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(1-propylpyrazol-4-yl)oxymethyl]benzamide is sourced from PubChem (CID 102670696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).