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

C12H11Cl2N3O — CID 832074

IUPAC4-chloro-N-[(4-chlorophenyl)methyl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H11Cl2N3O/c1-17-11(10(14)7-16-17)12(18)15-6-8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3,(H,15,18)
InChIKeyCTTWJVZHSDDQLF-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.66
Rot. Bonds3

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

4-chloro-N-[(4-chlorophenyl)methyl]-1-methylpyrazole-5-carboxamide (PubChem CID 832074) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 4-chloro-N-[(4-chlorophenyl)methyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(4-chlorophenyl)methyl]-1-methylpyrazole-5-carboxamide
PubChem CID832074
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name4-chloro-N-[(4-chlorophenyl)methyl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H11Cl2N3O/c1-17-11(10(14)7-16-17)12(18)15-6-8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3,(H,15,18)
InChIKeyCTTWJVZHSDDQLF-UHFFFAOYSA-N
XLogP2.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-chlorophenyl)methyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[(4-chlorophenyl)methyl]-1-methylpyrazole-5-carboxamide (CID 832074) is 4-chloro-N-[(4-chlorophenyl)methyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[(4-chlorophenyl)methyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[(4-chlorophenyl)methyl]-1-methylpyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(4-chlorophenyl)methyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is CTTWJVZHSDDQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-17-11(10(14)7-16-17)12(18)15-6-8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3,(H,15,18).
What are the key properties of 4-chloro-N-[(4-chlorophenyl)methyl]-1-methylpyrazole-5-carboxamide?
4-chloro-N-[(4-chlorophenyl)methyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 284.15 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-chlorophenyl)methyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 832074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).