4-[(3,5-dichlorobenzoyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide

C15H16Cl2N4O2 — CID 95748095

IUPAC4-[(3,5-dichlorobenzoyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
SMILESCc1c(NC(=O)c2cc(Cl)cc(Cl)c2)c(C(=O)N(C)C)nn1C
InChIInChI=1S/C15H16Cl2N4O2/c1-8-12(13(19-21(8)4)15(23)20(2)3)18-14(22)9-5-10(16)7-11(17)6-9/h5-7H,1-4H3,(H,18,22)
InChIKeySZPVUNDJFTWPGK-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.99
Rot. Bonds3

About 4-[(3,5-dichlorobenzoyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide

4-[(3,5-dichlorobenzoyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide (PubChem CID 95748095) has the molecular formula C15H16Cl2N4O2 and a molecular weight of 355.23 g/mol. Its IUPAC name is 4-[(3,5-dichlorobenzoyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dichlorobenzoyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
PubChem CID95748095
Molecular FormulaC15H16Cl2N4O2
Molecular Weight355.23 g/mol
Exact Mass354.07
IUPAC Name4-[(3,5-dichlorobenzoyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
SMILESCc1c(NC(=O)c2cc(Cl)cc(Cl)c2)c(C(=O)N(C)C)nn1C
InChIInChI=1S/C15H16Cl2N4O2/c1-8-12(13(19-21(8)4)15(23)20(2)3)18-14(22)9-5-10(16)7-11(17)6-9/h5-7H,1-4H3,(H,18,22)
InChIKeySZPVUNDJFTWPGK-UHFFFAOYSA-N
XLogP2.99
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 95748088
4-[[5-(cyclopropanecarbonylamino)-1-methylpyrazole-3-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 95747925
4-[(3,6-dimethyl-1-benzofuran-2-carbonyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 95747890
4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 95747825
4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 95747738
4-[(3-fluorophenyl)carbamoylamino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 75538640
4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 95747745
N,N,1,5-tetramethyl-4-(propan-2-ylsulfonylamino)pyrazole-3-carboxamide
CID 95748007
3-chloro-4-iodo-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 103734754
N,N,1,5-tetramethyl-4-[(2-naphthalen-2-yloxyacetyl)amino]pyrazole-3-carboxamide
CID 95747777
3-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)-1,5-dimethylpyrazol-4-yl]-4-methyl-5-oxomorpholine-2-carboxamide
CID 110280685
N,N,1,5-tetramethyl-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pyrazole-3-carboxamide
CID 95747977

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dichlorobenzoyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide?
The IUPAC name of 4-[(3,5-dichlorobenzoyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide (CID 95748095) is 4-[(3,5-dichlorobenzoyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[(3,5-dichlorobenzoyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[(3,5-dichlorobenzoyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide is Cc1c(NC(=O)c2cc(Cl)cc(Cl)c2)c(C(=O)N(C)C)nn1C.
What is the InChIKey of 4-[(3,5-dichlorobenzoyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide?
The InChIKey is SZPVUNDJFTWPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O2/c1-8-12(13(19-21(8)4)15(23)20(2)3)18-14(22)9-5-10(16)7-11(17)6-9/h5-7H,1-4H3,(H,18,22).
What are the key properties of 4-[(3,5-dichlorobenzoyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide?
4-[(3,5-dichlorobenzoyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide has a molecular weight of 355.23 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dichlorobenzoyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide is sourced from PubChem (CID 95748095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).