N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-methylpyrazole-3-carboxamide

C11H10Cl2N4O — CID 114051088

IUPACN-(2,6-dichloro-4-methyl-3-pyridinyl)-2-methylpyrazole-3-carboxamide
SMILESCc1cc(Cl)nc(Cl)c1NC(=O)c1ccnn1C
InChIInChI=1S/C11H10Cl2N4O/c1-6-5-8(12)15-10(13)9(6)16-11(18)7-3-4-14-17(7)2/h3-5H,1-2H3,(H,16,18)
InChIKeyBVODCOWSFRJNON-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.68
Rot. Bonds2

About N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-methylpyrazole-3-carboxamide

N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-methylpyrazole-3-carboxamide (PubChem CID 114051088) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichloro-4-methyl-3-pyridinyl)-2-methylpyrazole-3-carboxamide
PubChem CID114051088
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC NameN-(2,6-dichloro-4-methyl-3-pyridinyl)-2-methylpyrazole-3-carboxamide
SMILESCc1cc(Cl)nc(Cl)c1NC(=O)c1ccnn1C
InChIInChI=1S/C11H10Cl2N4O/c1-6-5-8(12)15-10(13)9(6)16-11(18)7-3-4-14-17(7)2/h3-5H,1-2H3,(H,16,18)
InChIKeyBVODCOWSFRJNON-UHFFFAOYSA-N
XLogP2.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-methylpyrazole-3-carboxamide (CID 114051088) is N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-methylpyrazole-3-carboxamide is Cc1cc(Cl)nc(Cl)c1NC(=O)c1ccnn1C.
What is the InChIKey of N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is BVODCOWSFRJNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c1-6-5-8(12)15-10(13)9(6)16-11(18)7-3-4-14-17(7)2/h3-5H,1-2H3,(H,16,18).
What are the key properties of N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-methylpyrazole-3-carboxamide?
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 285.13 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 114051088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).