3-N,5-N-bis(3-chlorophenyl)-1-methylpyrazole-3,5-dicarboxamide

C18H14Cl2N4O2 — CID 1098160

IUPAC3-N,5-N-bis(3-chlorophenyl)-1-methylpyrazole-3,5-dicarboxamide
SMILESCn1nc(C(=O)Nc2cccc(Cl)c2)cc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H14Cl2N4O2/c1-24-16(18(26)22-14-7-3-5-12(20)9-14)10-15(23-24)17(25)21-13-6-2-4-11(19)8-13/h2-10H,1H3,(H,21,25)(H,22,26)
InChIKeyHWFFDKDTIUMJOB-UHFFFAOYSA-N
MW389.24 g/mol
LogP4.23
Rot. Bonds4

About 3-N,5-N-bis(3-chlorophenyl)-1-methylpyrazole-3,5-dicarboxamide

3-N,5-N-bis(3-chlorophenyl)-1-methylpyrazole-3,5-dicarboxamide (PubChem CID 1098160) has the molecular formula C18H14Cl2N4O2 and a molecular weight of 389.24 g/mol. Its IUPAC name is 3-N,5-N-bis(3-chlorophenyl)-1-methylpyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-bis(3-chlorophenyl)-1-methylpyrazole-3,5-dicarboxamide
PubChem CID1098160
Molecular FormulaC18H14Cl2N4O2
Molecular Weight389.24 g/mol
Exact Mass388.05
IUPAC Name3-N,5-N-bis(3-chlorophenyl)-1-methylpyrazole-3,5-dicarboxamide
SMILESCn1nc(C(=O)Nc2cccc(Cl)c2)cc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H14Cl2N4O2/c1-24-16(18(26)22-14-7-3-5-12(20)9-14)10-15(23-24)17(25)21-13-6-2-4-11(19)8-13/h2-10H,1H3,(H,21,25)(H,22,26)
InChIKeyHWFFDKDTIUMJOB-UHFFFAOYSA-N
XLogP4.23
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis(3-chlorophenyl)-1-methylpyrazole-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-bis(3-chlorophenyl)-1-methylpyrazole-3,5-dicarboxamide (CID 1098160) is 3-N,5-N-bis(3-chlorophenyl)-1-methylpyrazole-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-bis(3-chlorophenyl)-1-methylpyrazole-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-bis(3-chlorophenyl)-1-methylpyrazole-3,5-dicarboxamide is Cn1nc(C(=O)Nc2cccc(Cl)c2)cc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 3-N,5-N-bis(3-chlorophenyl)-1-methylpyrazole-3,5-dicarboxamide?
The InChIKey is HWFFDKDTIUMJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O2/c1-24-16(18(26)22-14-7-3-5-12(20)9-14)10-15(23-24)17(25)21-13-6-2-4-11(19)8-13/h2-10H,1H3,(H,21,25)(H,22,26).
What are the key properties of 3-N,5-N-bis(3-chlorophenyl)-1-methylpyrazole-3,5-dicarboxamide?
3-N,5-N-bis(3-chlorophenyl)-1-methylpyrazole-3,5-dicarboxamide has a molecular weight of 389.24 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis(3-chlorophenyl)-1-methylpyrazole-3,5-dicarboxamide is sourced from PubChem (CID 1098160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).