N-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide

C18H16ClN3O2 — CID 54541897

IUPACN-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide
SMILESCc1nn(C)c(Oc2ccc(Cl)cc2)c1NC(=O)c1ccccc1
InChIInChI=1S/C18H16ClN3O2/c1-12-16(20-17(23)13-6-4-3-5-7-13)18(22(2)21-12)24-15-10-8-14(19)9-11-15/h3-11H,1-2H3,(H,20,23)
InChIKeyZDUNENUNGMFRNK-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.43
Rot. Bonds4

About N-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide

N-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide (PubChem CID 54541897) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide
PubChem CID54541897
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide
SMILESCc1nn(C)c(Oc2ccc(Cl)cc2)c1NC(=O)c1ccccc1
InChIInChI=1S/C18H16ClN3O2/c1-12-16(20-17(23)13-6-4-3-5-7-13)18(22(2)21-12)24-15-10-8-14(19)9-11-15/h3-11H,1-2H3,(H,20,23)
InChIKeyZDUNENUNGMFRNK-UHFFFAOYSA-N
XLogP4.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide
CID 71934131
N-benzyl-3-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 136589669
N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]pyridine-2-carboxamide
CID 71934124
N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-2-methylpyrazole-3-carboxamide
CID 71933936
5-(4-chlorophenoxy)-1,3-dimethylpyrazole-4-carbothioamide
CID 63750938
4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide
CID 21369168
3-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 136589712
N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]benzamide
CID 1484445
4-(4-iodo-1,3-dimethylpyrazol-5-yl)oxybenzoic acid
CID 86811269
N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 86781581
4-chloro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzamide
CID 91969101
4-(4-chlorophenoxy)-3,5-dimethyl-N-phenylpyrazole-1-carboxamide
CID 2745789

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide?
The IUPAC name of N-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide (CID 54541897) is N-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide.
What is the SMILES notation for N-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide?
The canonical SMILES for N-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide is Cc1nn(C)c(Oc2ccc(Cl)cc2)c1NC(=O)c1ccccc1.
What is the InChIKey of N-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide?
The InChIKey is ZDUNENUNGMFRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-12-16(20-17(23)13-6-4-3-5-7-13)18(22(2)21-12)24-15-10-8-14(19)9-11-15/h3-11H,1-2H3,(H,20,23).
What are the key properties of N-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide?
N-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide has a molecular weight of 341.80 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide is sourced from PubChem (CID 54541897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).