4-amino-N-(2,6-dichloro-3-methylphenyl)-1H-pyrazole-5-carboxamide

C11H10Cl2N4O — CID 63105942

IUPAC4-amino-N-(2,6-dichloro-3-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(Cl)c(NC(=O)c2[nH]ncc2N)c1Cl
InChIInChI=1S/C11H10Cl2N4O/c1-5-2-3-6(12)9(8(5)13)16-11(18)10-7(14)4-15-17-10/h2-4H,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyWZPFFLFOYYKYNN-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.86
Rot. Bonds2

About 4-amino-N-(2,6-dichloro-3-methylphenyl)-1H-pyrazole-5-carboxamide

4-amino-N-(2,6-dichloro-3-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 63105942) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is 4-amino-N-(2,6-dichloro-3-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,6-dichloro-3-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID63105942
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC Name4-amino-N-(2,6-dichloro-3-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(Cl)c(NC(=O)c2[nH]ncc2N)c1Cl
InChIInChI=1S/C11H10Cl2N4O/c1-5-2-3-6(12)9(8(5)13)16-11(18)10-7(14)4-15-17-10/h2-4H,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyWZPFFLFOYYKYNN-UHFFFAOYSA-N
XLogP2.86
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 63107427
4-amino-3,5-dichloro-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 82811367
4-amino-N-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 55178983
4-amino-N-(2,6-dichloro-3-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81235599
4-amino-N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 63107036
4-amino-N-(2,6-dichloro-3-methylphenyl)-3-methylbenzamide
CID 29273488
4-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 55177446
4-amino-N-(2,6-difluorophenyl)-1H-pyrazole-5-carboxamide
CID 63107429
N-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide
CID 60628486
2-amino-4-bromo-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 79714079
2-chloro-N-(2,6-dichloro-3-methylphenyl)furan-3-carboxamide
CID 106685178
3-chloro-N-(2,6-dichloro-3-methylphenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62237587

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,6-dichloro-3-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2,6-dichloro-3-methylphenyl)-1H-pyrazole-5-carboxamide (CID 63105942) is 4-amino-N-(2,6-dichloro-3-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2,6-dichloro-3-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2,6-dichloro-3-methylphenyl)-1H-pyrazole-5-carboxamide is Cc1ccc(Cl)c(NC(=O)c2[nH]ncc2N)c1Cl.
What is the InChIKey of 4-amino-N-(2,6-dichloro-3-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WZPFFLFOYYKYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c1-5-2-3-6(12)9(8(5)13)16-11(18)10-7(14)4-15-17-10/h2-4H,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 4-amino-N-(2,6-dichloro-3-methylphenyl)-1H-pyrazole-5-carboxamide?
4-amino-N-(2,6-dichloro-3-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 285.13 g/mol, XLogP of 2.86, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,6-dichloro-3-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63105942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).