N-(2,5-dichlorophenyl)-1H-pyrazole-4-carboxamide

C10H7Cl2N3O — CID 43582385

IUPACN-(2,5-dichlorophenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cn[nH]c1
InChIInChI=1S/C10H7Cl2N3O/c11-7-1-2-8(12)9(3-7)15-10(16)6-4-13-14-5-6/h1-5H,(H,13,14)(H,15,16)
InChIKeyPZOWXOGWQWZJSX-UHFFFAOYSA-N
MW256.09 g/mol
LogP2.97
Rot. Bonds2

About N-(2,5-dichlorophenyl)-1H-pyrazole-4-carboxamide

N-(2,5-dichlorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 43582385) has the molecular formula C10H7Cl2N3O and a molecular weight of 256.09 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID43582385
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.09 g/mol
Exact Mass255.00
IUPAC NameN-(2,5-dichlorophenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cn[nH]c1
InChIInChI=1S/C10H7Cl2N3O/c11-7-1-2-8(12)9(3-7)15-10(16)6-4-13-14-5-6/h1-5H,(H,13,14)(H,15,16)
InChIKeyPZOWXOGWQWZJSX-UHFFFAOYSA-N
XLogP2.97
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532923
2-N,6-N-bis(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 4104861
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469
N-(5-chloro-2-pyridinyl)-1H-pyrazole-4-carboxamide
CID 43583033
4-carbamothioyl-N-(2,5-dichlorophenyl)benzamide
CID 29037968
N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532988
4-bromo-N-(2,5-dichlorophenyl)benzamide
CID 763593
4-amino-N-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 55178983
4-bromo-N-(2,5-dichlorophenyl)-1H-pyrrole-2-carboxamide
CID 43410564
N-(2-bromo-5-chloro-4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 104724206
N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532914
N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 43532961

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-1H-pyrazole-4-carboxamide (CID 43582385) is N-(2,5-dichlorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-1H-pyrazole-4-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)c1cn[nH]c1.
What is the InChIKey of N-(2,5-dichlorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is PZOWXOGWQWZJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O/c11-7-1-2-8(12)9(3-7)15-10(16)6-4-13-14-5-6/h1-5H,(H,13,14)(H,15,16).
What are the key properties of N-(2,5-dichlorophenyl)-1H-pyrazole-4-carboxamide?
N-(2,5-dichlorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 256.09 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).