1-[(4-chlorophenoxy)methyl]-N-(4-chlorophenyl)pyrazole-3-carboxamide

C17H13Cl2N3O2 — CID 17021150

IUPAC1-[(4-chlorophenoxy)methyl]-N-(4-chlorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccn(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H13Cl2N3O2/c18-12-1-5-14(6-2-12)20-17(23)16-9-10-22(21-16)11-24-15-7-3-13(19)4-8-15/h1-10H,11H2,(H,20,23)
InChIKeyKAIKNWDDNOCQCU-UHFFFAOYSA-N
MW362.22 g/mol
LogP4.48
Rot. Bonds5

About 1-[(4-chlorophenoxy)methyl]-N-(4-chlorophenyl)pyrazole-3-carboxamide

1-[(4-chlorophenoxy)methyl]-N-(4-chlorophenyl)pyrazole-3-carboxamide (PubChem CID 17021150) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is 1-[(4-chlorophenoxy)methyl]-N-(4-chlorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenoxy)methyl]-N-(4-chlorophenyl)pyrazole-3-carboxamide
PubChem CID17021150
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC Name1-[(4-chlorophenoxy)methyl]-N-(4-chlorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccn(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H13Cl2N3O2/c18-12-1-5-14(6-2-12)20-17(23)16-9-10-22(21-16)11-24-15-7-3-13(19)4-8-15/h1-10H,11H2,(H,20,23)
InChIKeyKAIKNWDDNOCQCU-UHFFFAOYSA-N
XLogP4.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-chlorophenoxy)methyl]-N-(4-chlorophenyl)pyrazole-3-carboxamide 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

dimethyl 5-[[1-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19280144
1-[(4-chlorophenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
CID 19280166
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-1-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280381
N-(4-ethylphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269256
1-[(4-fluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19269246
1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide
CID 19271051
N-(3,4-dichlorophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275845
1-[(4-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 4774579
1-[(4-tert-butylphenoxy)methyl]-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19273730
1-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19280255
1-[(4-chlorophenoxy)methyl]-N-morpholin-4-ylpyrazole-3-carboxamide
CID 4774610
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273335

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenoxy)methyl]-N-(4-chlorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenoxy)methyl]-N-(4-chlorophenyl)pyrazole-3-carboxamide (CID 17021150) is 1-[(4-chlorophenoxy)methyl]-N-(4-chlorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenoxy)methyl]-N-(4-chlorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenoxy)methyl]-N-(4-chlorophenyl)pyrazole-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ccn(COc2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[(4-chlorophenoxy)methyl]-N-(4-chlorophenyl)pyrazole-3-carboxamide?
The InChIKey is KAIKNWDDNOCQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c18-12-1-5-14(6-2-12)20-17(23)16-9-10-22(21-16)11-24-15-7-3-13(19)4-8-15/h1-10H,11H2,(H,20,23).
What are the key properties of 1-[(4-chlorophenoxy)methyl]-N-(4-chlorophenyl)pyrazole-3-carboxamide?
1-[(4-chlorophenoxy)methyl]-N-(4-chlorophenyl)pyrazole-3-carboxamide has a molecular weight of 362.22 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenoxy)methyl]-N-(4-chlorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 17021150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).