4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide

C18H15Cl2N3O2 — CID 162673561

IUPAC4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NCc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H15Cl2N3O2/c1-23-17(16(20)11-22-23)18(24)21-10-12-2-6-14(7-3-12)25-15-8-4-13(19)5-9-15/h2-9,11H,10H2,1H3,(H,21,24)
InChIKeyGELHQSNSBCHYDV-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.45
Rot. Bonds5

About 4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide

4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide (PubChem CID 162673561) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is 4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide
PubChem CID162673561
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC Name4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NCc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H15Cl2N3O2/c1-23-17(16(20)11-22-23)18(24)21-10-12-2-6-14(7-3-12)25-15-8-4-13(19)5-9-15/h2-9,11H,10H2,1H3,(H,21,24)
InChIKeyGELHQSNSBCHYDV-UHFFFAOYSA-N
XLogP4.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tolfenpyrad
CID 10110536
4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 162670337
4-chloro-N-[[4-[(6-chloro-3-pyridinyl)oxy]phenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 162677266
N-benzyl-1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide
CID 44448521
1-({5-Chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-5-methyl-N-(1-methylethyl)-1H-pyrazole-3-carboxamide
CID 44448597
1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N,5-dimethylpyrazole-3-carboxamide
CID 44448599
4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 15008455
4-fluoro-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide
CID 162642917
4-chloro-N-[[4-[(6-chloro-3-pyridinyl)oxy]phenyl]methyl]-1-methylpyrazole-5-carboxamide
CID 162676994
N-(4-chlorobenzyl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]acetamide
CID 16028258
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1-methyl-1H-pyrazole-3-carboxamide
CID 891955
N-(2,4-dichlorophenyl)-5-(4-methoxybenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 1474582

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide (CID 162673561) is 4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)NCc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is GELHQSNSBCHYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-23-17(16(20)11-22-23)18(24)21-10-12-2-6-14(7-3-12)25-15-8-4-13(19)5-9-15/h2-9,11H,10H2,1H3,(H,21,24).
What are the key properties of 4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide?
4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 376.24 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 162673561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).