3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide

C17H14Cl2N4O — CID 31923949

IUPAC3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cn2)n1
InChIInChI=1S/C17H14Cl2N4O/c1-10-5-11(2)23(22-10)16-4-3-15(9-20-16)21-17(24)12-6-13(18)8-14(19)7-12/h3-9H,1-2H3,(H,21,24)
InChIKeyBTXIUYMVIRIUTL-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.44
Rot. Bonds3

About 3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide

3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide (PubChem CID 31923949) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is 3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide
PubChem CID31923949
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC Name3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cn2)n1
InChIInChI=1S/C17H14Cl2N4O/c1-10-5-11(2)23(22-10)16-4-3-15(9-20-16)21-17(24)12-6-13(18)8-14(19)7-12/h3-9H,1-2H3,(H,21,24)
InChIKeyBTXIUYMVIRIUTL-UHFFFAOYSA-N
XLogP4.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864
5-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide
CID 31908021
4-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 31908543
4-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 46402927
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38420472
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(pyrimidin-2-ylamino)benzamide
CID 46431681
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-iodobenzamide
CID 31923974
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 31907855
6-(aminomethyl)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 166362530
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(methylsulfonylmethyl)benzamide
CID 43072017
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112477
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-nitrobenzamide
CID 31907871

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide (CID 31923949) is 3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide is Cc1cc(C)n(-c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cn2)n1.
What is the InChIKey of 3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide?
The InChIKey is BTXIUYMVIRIUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c1-10-5-11(2)23(22-10)16-4-3-15(9-20-16)21-17(24)12-6-13(18)8-14(19)7-12/h3-9H,1-2H3,(H,21,24).
What are the key properties of 3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide?
3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide has a molecular weight of 361.23 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 31923949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).