4-(4-chlorophenoxy)-3,5-dimethyl-N-phenylpyrazole-1-carboxamide

C18H16ClN3O2 — CID 2745789

IUPAC4-(4-chlorophenoxy)-3,5-dimethyl-N-phenylpyrazole-1-carboxamide
SMILESCc1nn(C(=O)Nc2ccccc2)c(C)c1Oc1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c1-12-17(24-16-10-8-14(19)9-11-16)13(2)22(21-12)18(23)20-15-6-4-3-5-7-15/h3-11H,1-2H3,(H,20,23)
InChIKeyQVTBVHORDRBWAB-UHFFFAOYSA-N
MW341.80 g/mol
LogP5.03
Rot. Bonds3

About 4-(4-chlorophenoxy)-3,5-dimethyl-N-phenylpyrazole-1-carboxamide

4-(4-chlorophenoxy)-3,5-dimethyl-N-phenylpyrazole-1-carboxamide (PubChem CID 2745789) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-3,5-dimethyl-N-phenylpyrazole-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-3,5-dimethyl-N-phenylpyrazole-1-carboxamide
PubChem CID2745789
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name4-(4-chlorophenoxy)-3,5-dimethyl-N-phenylpyrazole-1-carboxamide
SMILESCc1nn(C(=O)Nc2ccccc2)c(C)c1Oc1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c1-12-17(24-16-10-8-14(19)9-11-16)13(2)22(21-12)18(23)20-15-6-4-3-5-7-15/h3-11H,1-2H3,(H,20,23)
InChIKeyQVTBVHORDRBWAB-UHFFFAOYSA-N
XLogP5.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.80
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-3,5-dimethyl-N-phenylpyrazole-1-carboxamide?
The IUPAC name of 4-(4-chlorophenoxy)-3,5-dimethyl-N-phenylpyrazole-1-carboxamide (CID 2745789) is 4-(4-chlorophenoxy)-3,5-dimethyl-N-phenylpyrazole-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-3,5-dimethyl-N-phenylpyrazole-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenoxy)-3,5-dimethyl-N-phenylpyrazole-1-carboxamide is Cc1nn(C(=O)Nc2ccccc2)c(C)c1Oc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)-3,5-dimethyl-N-phenylpyrazole-1-carboxamide?
The InChIKey is QVTBVHORDRBWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-12-17(24-16-10-8-14(19)9-11-16)13(2)22(21-12)18(23)20-15-6-4-3-5-7-15/h3-11H,1-2H3,(H,20,23).
What are the key properties of 4-(4-chlorophenoxy)-3,5-dimethyl-N-phenylpyrazole-1-carboxamide?
4-(4-chlorophenoxy)-3,5-dimethyl-N-phenylpyrazole-1-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-3,5-dimethyl-N-phenylpyrazole-1-carboxamide is sourced from PubChem (CID 2745789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).