3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide

C20H18Cl2N4O4 — CID 29097288

IUPAC3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OC)n(C)n1
InChIInChI=1S/C20H18Cl2N4O4/c1-26-16(20(28)24-14-9-12(22)5-7-18(14)30-3)10-15(25-26)19(27)23-13-8-11(21)4-6-17(13)29-2/h4-10H,1-3H3,(H,23,27)(H,24,28)
InChIKeyFOZUGLIMVXUBHV-UHFFFAOYSA-N
MW449.29 g/mol
LogP4.25
Rot. Bonds6

About 3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide

3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide (PubChem CID 29097288) has the molecular formula C20H18Cl2N4O4 and a molecular weight of 449.29 g/mol. Its IUPAC name is 3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide
PubChem CID29097288
Molecular FormulaC20H18Cl2N4O4
Molecular Weight449.29 g/mol
Exact Mass448.07
IUPAC Name3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OC)n(C)n1
InChIInChI=1S/C20H18Cl2N4O4/c1-26-16(20(28)24-14-9-12(22)5-7-18(14)30-3)10-15(25-26)19(27)23-13-8-11(21)4-6-17(13)29-2/h4-10H,1-3H3,(H,23,27)(H,24,28)
InChIKeyFOZUGLIMVXUBHV-UHFFFAOYSA-N
XLogP4.25
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.29
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 5048499
4-amino-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121449
N-(5-chloro-2-methoxyphenyl)-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide
CID 30858986
4-bromo-N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-2-carboxamide
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5-amino-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
CID 81319684
N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-3-carboxamide
CID 110762736
5,6-dichloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 4856255
N-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179760
N-(5-chloro-2-methoxyphenyl)-6-fluoropyridine-2-carboxamide
CID 113323350
N-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402806
4-amino-N-(5-chloro-2-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 43642936
N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide (CID 29097288) is 3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide is COc1ccc(Cl)cc1NC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OC)n(C)n1.
What is the InChIKey of 3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide?
The InChIKey is FOZUGLIMVXUBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O4/c1-26-16(20(28)24-14-9-12(22)5-7-18(14)30-3)10-15(25-26)19(27)23-13-8-11(21)4-6-17(13)29-2/h4-10H,1-3H3,(H,23,27)(H,24,28).
What are the key properties of 3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide?
3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide has a molecular weight of 449.29 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide is sourced from PubChem (CID 29097288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).