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

C10H8Cl2N4O — CID 55178983

IUPAC4-amino-N-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H8Cl2N4O/c11-5-1-2-6(12)8(3-5)15-10(17)9-7(13)4-14-16-9/h1-4H,13H2,(H,14,16)(H,15,17)
InChIKeyRBMFHJIDECEUON-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.55
Rot. Bonds2

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

4-amino-N-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 55178983) has the molecular formula C10H8Cl2N4O and a molecular weight of 271.11 g/mol. Its IUPAC name is 4-amino-N-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID55178983
Molecular FormulaC10H8Cl2N4O
Molecular Weight271.11 g/mol
Exact Mass270.01
IUPAC Name4-amino-N-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H8Cl2N4O/c11-5-1-2-6(12)8(3-5)15-10(17)9-7(13)4-14-16-9/h1-4H,13H2,(H,14,16)(H,15,17)
InChIKeyRBMFHJIDECEUON-UHFFFAOYSA-N
XLogP2.55
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 63107036
4-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 55177446
2-amino-4-chloro-N-(2,5-dichlorophenyl)benzamide
CID 29037738
4-amino-N-(2,6-dichloro-3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 63105942
N-(2,5-dichlorophenyl)-1H-pyrazole-4-carboxamide
CID 43582385
4-bromo-N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 19511215
4-amino-N-(2,6-difluorophenyl)-1H-pyrazole-5-carboxamide
CID 63107429
4-amino-5-cyclopropyl-N-(2,5-dichlorophenyl)-1H-pyrazole-3-carboxamide
CID 62075479
N-(4-amino-1H-pyrazol-5-yl)-5-chloro-2-iodobenzamide
CID 114030278
4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 63107427
2-N,6-N-bis(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 4104861
4-carbamothioyl-N-(2,5-dichlorophenyl)benzamide
CID 29037968

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxamide (CID 55178983) is 4-amino-N-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxamide is Nc1cn[nH]c1C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 4-amino-N-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is RBMFHJIDECEUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O/c11-5-1-2-6(12)8(3-5)15-10(17)9-7(13)4-14-16-9/h1-4H,13H2,(H,14,16)(H,15,17).
What are the key properties of 4-amino-N-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxamide?
4-amino-N-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 271.11 g/mol, XLogP of 2.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 55178983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).