4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide

C19H20Cl2N6O3 — CID 95747825

IUPAC4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
SMILESCc1c(NC(=O)c2ccn(COc3c(Cl)cccc3Cl)n2)c(C(=O)N(C)C)nn1C
InChIInChI=1S/C19H20Cl2N6O3/c1-11-15(16(24-26(11)4)19(29)25(2)3)22-18(28)14-8-9-27(23-14)10-30-17-12(20)6-5-7-13(17)21/h5-9H,10H2,1-4H3,(H,22,28)
InChIKeyWHRQSNPXSMGERV-UHFFFAOYSA-N
MW451.31 g/mol
LogP3.22
Rot. Bonds6

About 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide

4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide (PubChem CID 95747825) has the molecular formula C19H20Cl2N6O3 and a molecular weight of 451.31 g/mol. Its IUPAC name is 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
PubChem CID95747825
Molecular FormulaC19H20Cl2N6O3
Molecular Weight451.31 g/mol
Exact Mass450.10
IUPAC Name4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
SMILESCc1c(NC(=O)c2ccn(COc3c(Cl)cccc3Cl)n2)c(C(=O)N(C)C)nn1C
InChIInChI=1S/C19H20Cl2N6O3/c1-11-15(16(24-26(11)4)19(29)25(2)3)22-18(28)14-8-9-27(23-14)10-30-17-12(20)6-5-7-13(17)21/h5-9H,10H2,1-4H3,(H,22,28)
InChIKeyWHRQSNPXSMGERV-UHFFFAOYSA-N
XLogP3.22
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide with MolForge

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Related Compounds

1-[(2,6-dichlorophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 19393542
1-[(2,6-dichlorophenoxy)methyl]-N-(2,6-dichlorophenyl)pyrazole-3-carboxamide
CID 19269839
1-[(2,6-dichlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 19269884
1-[(2,6-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19346663
1-[(2,6-dichlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 19581774
1-[(2,6-dichlorophenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 19469080
1-[(4-bromo-2-chlorophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 19393571
1-[(2,6-dichlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
CID 17021920
1-[(2,6-dichlorophenoxy)methyl]-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19269906
4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341944
1-[(2,6-dichlorophenoxy)methyl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide
CID 19341325
4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19270063

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide?
The IUPAC name of 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide (CID 95747825) is 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide is Cc1c(NC(=O)c2ccn(COc3c(Cl)cccc3Cl)n2)c(C(=O)N(C)C)nn1C.
What is the InChIKey of 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide?
The InChIKey is WHRQSNPXSMGERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N6O3/c1-11-15(16(24-26(11)4)19(29)25(2)3)22-18(28)14-8-9-27(23-14)10-30-17-12(20)6-5-7-13(17)21/h5-9H,10H2,1-4H3,(H,22,28).
What are the key properties of 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide?
4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide has a molecular weight of 451.31 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide is sourced from PubChem (CID 95747825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).