N-(6-chloro-4-methyl-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide

C13H15ClN4O — CID 113263016

IUPACN-(6-chloro-4-methyl-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1cc(Cl)ncc1NC(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C13H15ClN4O/c1-7-5-11(14)15-6-10(7)16-13(19)12-8(2)17-18(4)9(12)3/h5-6H,1-4H3,(H,16,19)
InChIKeyIHZJWDKOGXHELO-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.65
Rot. Bonds2

About N-(6-chloro-4-methyl-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(6-chloro-4-methyl-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 113263016) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID113263016
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC NameN-(6-chloro-4-methyl-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1cc(Cl)ncc1NC(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C13H15ClN4O/c1-7-5-11(14)15-6-10(7)16-13(19)12-8(2)17-18(4)9(12)3/h5-6H,1-4H3,(H,16,19)
InChIKeyIHZJWDKOGXHELO-UHFFFAOYSA-N
XLogP2.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.65
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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Related Compounds

N-(5-chloropyrazin-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 107595749
N-(4-hydroxy-2,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 106834916
N-(5-amino-2,4-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 104757095
5-chloro-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 28548365
N-(3,5-dichloro-4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 82884303
N-(2,3-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 17423389
4-methyl-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 28742531
6-bromo-N-(6-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 113263005
1,3,5-trimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide
CID 19281483
N-(2-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742902
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 122319474
N-(2-benzoyl-4-chlorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281510

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(6-chloro-4-methyl-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 113263016) is N-(6-chloro-4-methyl-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(6-chloro-4-methyl-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(6-chloro-4-methyl-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide is Cc1cc(Cl)ncc1NC(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N-(6-chloro-4-methyl-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is IHZJWDKOGXHELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-7-5-11(14)15-6-10(7)16-13(19)12-8(2)17-18(4)9(12)3/h5-6H,1-4H3,(H,16,19).
What are the key properties of N-(6-chloro-4-methyl-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(6-chloro-4-methyl-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methyl-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 113263016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).