4-chloro-N-[3-chloro-4-(propanoylamino)phenyl]-1-methylpyrazole-5-carboxamide

C14H14Cl2N4O2 — CID 50981583

IUPAC4-chloro-N-[3-chloro-4-(propanoylamino)phenyl]-1-methylpyrazole-5-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)c2c(Cl)cnn2C)cc1Cl
InChIInChI=1S/C14H14Cl2N4O2/c1-3-12(21)19-11-5-4-8(6-9(11)15)18-14(22)13-10(16)7-17-20(13)2/h4-7H,3H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyVSARYNGONTWKJG-UHFFFAOYSA-N
MW341.20 g/mol
LogP3.33
Rot. Bonds4

About 4-chloro-N-[3-chloro-4-(propanoylamino)phenyl]-1-methylpyrazole-5-carboxamide

4-chloro-N-[3-chloro-4-(propanoylamino)phenyl]-1-methylpyrazole-5-carboxamide (PubChem CID 50981583) has the molecular formula C14H14Cl2N4O2 and a molecular weight of 341.20 g/mol. Its IUPAC name is 4-chloro-N-[3-chloro-4-(propanoylamino)phenyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-chloro-4-(propanoylamino)phenyl]-1-methylpyrazole-5-carboxamide
PubChem CID50981583
Molecular FormulaC14H14Cl2N4O2
Molecular Weight341.20 g/mol
Exact Mass340.05
IUPAC Name4-chloro-N-[3-chloro-4-(propanoylamino)phenyl]-1-methylpyrazole-5-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)c2c(Cl)cnn2C)cc1Cl
InChIInChI=1S/C14H14Cl2N4O2/c1-3-12(21)19-11-5-4-8(6-9(11)15)18-14(22)13-10(16)7-17-20(13)2/h4-7H,3H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyVSARYNGONTWKJG-UHFFFAOYSA-N
XLogP3.33
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamido-3-chlorophenyl)-4-amino-1-methylpyrazole-5-carboxamide
CID 65355536
4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-1-methylpyrazole-5-carboxamide
CID 131940972
4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 6467156
ethyl 4-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate
CID 973643
N-(1,3-benzothiazol-5-yl)-4-chloro-1-methylpyrazole-5-carboxamide
CID 131925440
4-chloro-1-methyl-N-(4-nitrophenyl)pyrazole-5-carboxamide
CID 19475780
4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide
CID 19475778
4-chloro-N,1-dimethylpyrazole-5-carboxamide
CID 17144538
N-(2,4-dichlorophenyl)propanamide
CID 923083
4-chloro-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-5-carboxamide
CID 19475965
N-[3-chloro-4-(propanoylamino)phenyl]-2-methoxypyridine-3-carboxamide
CID 50968912
4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide
CID 4771010

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-chloro-4-(propanoylamino)phenyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[3-chloro-4-(propanoylamino)phenyl]-1-methylpyrazole-5-carboxamide (CID 50981583) is 4-chloro-N-[3-chloro-4-(propanoylamino)phenyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-chloro-4-(propanoylamino)phenyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[3-chloro-4-(propanoylamino)phenyl]-1-methylpyrazole-5-carboxamide is CCC(=O)Nc1ccc(NC(=O)c2c(Cl)cnn2C)cc1Cl.
What is the InChIKey of 4-chloro-N-[3-chloro-4-(propanoylamino)phenyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is VSARYNGONTWKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O2/c1-3-12(21)19-11-5-4-8(6-9(11)15)18-14(22)13-10(16)7-17-20(13)2/h4-7H,3H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of 4-chloro-N-[3-chloro-4-(propanoylamino)phenyl]-1-methylpyrazole-5-carboxamide?
4-chloro-N-[3-chloro-4-(propanoylamino)phenyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 341.20 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-chloro-4-(propanoylamino)phenyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 50981583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).